pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene

• ChemBase ID: 156297
• Molecular Formular: C18H10
• Molecular Mass: 226.272
• Monoisotopic Mass: 226.07825032
• SMILES: c1cc2ccc3ccc4cccc5c4c3c2c5c1
• Canonical SMILES: c1cc2ccc3c4c2c(c1)c1cccc(c41)cc3
• InChI: InChI=1S/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H
• InChIKey: YEIHPPOCKIHUQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentacyclo[8.8.0.0^2,^7.0^3,^1^7.0^1^3,^1^8]octadeca-1,3,5,7,9,11,13,15,17-nonaene
• IUPAC Traditional name: pentacyclo[8.8.0.0^2,^7.0^3,^1^7.0^1^3,^1^8]octadeca-1,3,5,7,9,11,13,15,17-nonaene
• Synonyms: Benzo[ghi]fluoranthene; 苯并[ghi]荧蒽

Database IDs

• CAS Number: 203-12-3
• MDL Number: MFCD00215889
• Beilstein Number: 2047005
• PubChem SID: 162250435; 24892191
• PubChem CID: 9144

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6156554
• LogD (pH = 7.4): 4.6156554
• Log P: 4.6156554
• Molar Refractivity: 74.4868 cm^3
• Polarizability: 34.295124 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Temperature: 2-8°C

Product Information

• Grade: BCR® certified Reference Material
• Empirical Formula (Hill Notation): C18H10

DETAILS

Sigma Aldrich - BCR139

Legal Information
BCR is a registered trademark of European Commission