3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
56 59 0 0 0 0 0 0 0999 V2000
-0.4827 -0.1691 0.7372 P 0 0 0 0 0 0 0 0 0 0 0 0
-2.2141 -0.7707 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8539 1.6500 0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1935 -2.1954 -0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0659 -0.6967 1.6804 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4394 2.4733 0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8373 2.0931 -0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6080 -2.7225 -0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4781 -1.2278 1.4395 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1507 3.9718 0.9063 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1200 3.5926 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4576 -2.6416 0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8335 4.4111 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2886 -0.3024 -0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6533 -0.5552 -1.0967 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5372 -0.1414 -2.0276 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1833 -0.6453 -2.3838 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5645 -0.7320 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0073 -0.2317 -3.3149 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3529 -0.4836 -3.4929 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2198 0.3712 0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7776 -2.0038 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0950 0.2013 1.6331 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6527 -2.1738 1.6175 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3114 -1.0713 2.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7398 -0.1997 -0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3194 1.8100 1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6834 -2.8700 0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6480 -2.2779 -1.1053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1436 0.3332 2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6000 -1.2807 2.4855 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9791 2.2897 -0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1065 2.1971 1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8236 1.6401 -0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4566 1.9368 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5603 -3.7625 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0854 -2.1445 -1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0065 -0.5602 0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0394 -1.2207 2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0863 4.5328 0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2589 4.2144 1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6585 3.8149 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7756 3.8912 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4809 -2.9646 0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0596 -3.3341 1.6186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0679 5.4740 -0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3661 4.3009 -1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6053 0.0262 -1.9881 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2411 -0.8413 -2.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6540 -0.1127 -4.1793 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7651 -0.5553 -4.4951 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0853 1.3668 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2719 -2.8735 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6121 1.0590 2.0532 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8213 -3.1646 2.0292 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9938 -1.2038 2.9963 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 14 1 0 0 0 0
2 4 1 0 0 0 0
2 5 1 0 0 0 0
2 26 1 0 0 0 0
3 6 1 0 0 0 0
3 7 1 0 0 0 0
3 27 1 0 0 0 0
4 8 1 0 0 0 0
4 28 1 0 0 0 0
4 29 1 0 0 0 0
5 9 1 0 0 0 0
5 30 1 0 0 0 0
5 31 1 0 0 0 0
6 10 1 0 0 0 0
6 32 1 0 0 0 0
6 33 1 0 0 0 0
7 11 1 0 0 0 0
7 34 1 0 0 0 0
7 35 1 0 0 0 0
8 12 1 0 0 0 0
8 36 1 0 0 0 0
8 37 1 0 0 0 0
9 12 1 0 0 0 0
9 38 1 0 0 0 0
9 39 1 0 0 0 0
10 13 1 0 0 0 0
10 40 1 0 0 0 0
10 41 1 0 0 0 0
11 13 1 0 0 0 0
11 42 1 0 0 0 0
11 43 1 0 0 0 0
12 44 1 0 0 0 0
12 45 1 0 0 0 0
13 46 1 0 0 0 0
13 47 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
15 17 2 0 0 0 0
15 18 1 0 0 0 0
16 19 1 0 0 0 0
16 48 1 0 0 0 0
17 20 1 0 0 0 0
17 49 1 0 0 0 0
18 21 2 0 0 0 0
18 22 1 0 0 0 0
19 20 2 0 0 0 0
19 50 1 0 0 0 0
20 51 1 0 0 0 0
21 23 1 0 0 0 0
21 52 1 0 0 0 0
22 24 2 0 0 0 0
22 53 1 0 0 0 0
23 25 2 0 0 0 0
23 54 1 0 0 0 0
24 25 1 0 0 0 0
24 55 1 0 0 0 0
25 56 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
dicyclohexyl-(2-phenylphenyl)phosphane
4.2 InChI
InChI=1S/C24H31P/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2
4.3 InChIKey
LCSNDSFWVKMJCT-UHFFFAOYSA-N
4.4 Canonical SMILES
C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3C4=CC=CC=C4
4.5 Isomeric SMILES
-
4.6 SDF file
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
5.4 Infrared spectroscopy (IR)
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
