hexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),2,4(24),5,7,9,11,13,15(23),16,18,20-dodecaene

• ChemBase ID: 130239
• Molecular Formular: C24H14
• Molecular Mass: 302.36796
• Monoisotopic Mass: 302.10955045
• SMILES: c1ccc2c3c1cccc3cc1c3cccc4cccc(cc21)c34
• Canonical SMILES: c1cc2cccc3c2c(c1)c1cc2cccc4c2c(c1c3)ccc4
• InChI: InChI=1S/C24H14/c1-5-15-7-3-11-19-22-14-18-10-2-6-16-8-4-12-20(24(16)18)21(22)13-17(9-1)23(15)19/h1-14H
• InChIKey: UXUXNGMSDNTZEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexacyclo[13.7.1.1^4,^8.0^2,^1^3.0^1^9,^2^3.0^1^2,^2^4]tetracosa-1(22),2,4(24),5,7,9,11,13,15(23),16,18,20-dodecaene
• IUPAC Traditional name: hexacyclo[13.7.1.1^4,^8.0^2,^1^3.0^1^9,^2^3.0^1^2,^2^4]tetracosa-1(22),2,4(24),5,7,9,11,13,15(23),16,18,20-dodecaene
• Synonyms: Zethrene

Database IDs

• CAS Number: 214-63-1
• PubChem SID: 162224519
• PubChem CID: 12445035
• Chemspider ID: 11562880
• Wikipedia Title: Zethrene

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: 45.44878 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Safety Statements: R