CAS No.: 53-70-3 — Dibenz[a,h]anthracene (二苯并(a,h)蒽)

1. Primary Information

English name:	Dibenz[a,h]anthracene
CAS No.:	53-70-3
Molecular formula:	C₂₂H₁₄
Molecular weight:	278.3 g/mol
SMILES:	C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32
Structural class:
Other identifiers:	1,2,5,6-dibenzanthracene 1,2,5,6-dibenzanthracene, ion(1+) 1,2,5,6-dibenzanthracene, ion(1-) dibenz(a,h)anthracene dibenzo(a,h)anthracene

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in acetonitrile	208	2-8℃	in stock	-
Kehua Intelligence	10mg	98%	560	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 40 0 0 0 0 0 0 0999 V2000 1.4395 -0.1801 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4395 0.1802 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8652 1.1086 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8652 -1.1084 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8747 -0.3149 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8747 0.3150 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -1.2679 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5351 1.2681 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 0.8540 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6792 -0.8539 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6903 2.2376 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6903 -2.2376 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0756 2.1131 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0755 -2.1130 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 -1.5565 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5591 1.5565 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0815 0.7587 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0815 -0.7588 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9543 -1.6378 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9544 1.6377 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.4796 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.4794 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9217 -2.2862 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9217 2.2863 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2615 3.2383 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 -3.2381 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6784 3.0194 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6783 -3.0192 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0156 -2.4979 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0158 2.4979 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6970 1.6566 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6969 -1.6568 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4402 -2.6093 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4404 2.6090 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -0.5375 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8000 0.5372 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 8 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 7 2 0 0 0 0 4 12 1 0 0 0 0 5 9 1 0 0 0 0 5 15 2 0 0 0 0 6 10 1 0 0 0 0 6 16 2 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 9 13 1 0 0 0 0 9 17 2 0 0 0 0 10 14 1 0 0 0 0 10 18 2 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 17 21 1 0 0 0 0 17 31 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

naphtho[1,2-b]phenanthrene

4.2 InChI

InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

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)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

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)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)