hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene

• ChemBase ID: 156198
• Molecular Formular: C24H14
• Molecular Mass: 302.36796
• Monoisotopic Mass: 302.10955045
• SMILES: c1ccc2c(c1)cc1ccc3cccc4c3c1c2c1c4cccc1
• Canonical SMILES: c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3
• InChI: InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H
• InChIKey: JNTHRSHGARDABO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexacyclo[10.10.2.0^2,^7.0^8,^2^4.0^1^5,^2^3.0^1^7,^2^2]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
• IUPAC Traditional name: dibenzo(a,l)pyrene
• Synonyms: Dibenzo[a,l]pyrene; 1,2,9,10-Dibenzopyrene; 1,2:3,4-Dibenzopyrene; Dibenzo[a,l]pyrene; 2,3:4,5-Dibenzpyrene; DBC; 4,5,6,7-Dibenzpyrene; Ba 51-090462; NSC 90324; Dibenzo[def,p]chrysene; 二苯并[a,l]嵌二萘（纯）

Database IDs

• CAS Number: 191-30-0
• MDL Number: MFCD00467035
• Beilstein Number: 2054068
• PubChem SID: 24892183; 162250336
• PubChem CID: 9119

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.262881
• LogD (pH = 7.4): 6.262881
• Log P: 6.262881
• Molar Refractivity: 99.623 cm^3
• Polarizability: 45.453564 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Yellow Solid
• Melting Point: 160-162°C

Safety Information

• Storage Condition: Refrigerator
• Storage Temperature: 2-8°C

Product Information

• Grade: BCR® certified Reference Material
• Empirical Formula (Hill Notation): C24H14

DETAILS

Sigma Aldrich - BCR096

Legal Information
BCR is a registered trademark of European Commission

Toronto Research Chemicals - D416945

An active metabolite from inhalation and dermal exposure to polycyclic aromatics hydrocarbons in hot mix asphalt paving workers. DBC is the most potent tumorigen that has been identified to date. Dibenzo[def,p]chrysene (DBC) is a carcinogen and should be

REFERENCES

• Anderson, L., et al.: Toxicol. Appl. Pharmacol., 199, 85 (2004)
• Yu, Z., et al.: Cancer Res., 66, 755 (2004)
• Shen, J., et al.: Toxicol. Sci., 95, 313 (2004)