hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene

• ChemBase ID: 156124
• Molecular Formular: C24H14
• Molecular Mass: 302.36796
• Monoisotopic Mass: 302.10955045
• SMILES: c1ccc2c(c1)cc1c3ccccc3cc3c1c2c1c3cccc1
• Canonical SMILES: c1ccc2c(c1)c1c3ccccc3cc3c1c2cc1c3cccc1
• InChI: InChI=1S/C24H14/c1-3-9-17-15(7-1)13-22-19-11-5-6-12-20(19)23-18-10-4-2-8-16(18)14-21(17)24(22)23/h1-14H
• InChIKey: JHOWUOKQHJHGMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexacyclo[14.7.1.0^2,^7.0^8,^2^4.0^9,^1^4.0^1^7,^2^2]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
• IUPAC Traditional name: dibenzo(a,e)fluoranthene
• Synonyms: Dibenzo[a,e]fluoranthene; 二苯并[a,e]荧蒽

Database IDs

• CAS Number: 5385-75-1
• MDL Number: MFCD00215892
• Beilstein Number: 2120920
• PubChem SID: 24892201; 162250262
• PubChem CID: 21480

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: 45.45384 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 - BCR265

Legal Information
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