hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene

• ChemBase ID: 156659
• Molecular Formular: C24H14
• Molecular Mass: 302.36796
• Monoisotopic Mass: 302.10955045
• SMILES: c1ccc2c(c1)cc1ccc3c4ccccc4cc4c3c1c2cc4
• Canonical SMILES: c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4c1c(c3)cccc1
• InChI: InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-12-22-20-8-4-2-6-16(20)14-18-10-11-21(19)23(17)24(18)22/h1-14H
• InChIKey: RXUSYFJGDZFVND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexacyclo[10.10.2.0^2,^7.0^9,^2^3.0^1^3,^1^8.0^2^0,^2^4]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene
• IUPAC Traditional name: dibenzo[A,H]pyrene
• Synonyms: Dibenzo[a,h]pyrene; 二苯并[a,h]嵌二萘

Database IDs

• CAS Number: 189-64-0
• MDL Number: MFCD00039579
• Beilstein Number: 2054067
• PubChem SID: 24892198; 162250796
• PubChem CID: 9108

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: 45.449295 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Temperature: 2-8°C

Product Information

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

DETAILS

Sigma Aldrich - BCR159

Legal Information
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