heptacyclo[16.6.0.02,9.05,22.06,13.010,17.014,21]tetracosa-1,5(22),6(13),9,14(21),17-hexaene

• ChemBase ID: 129672
• Molecular Formular: C24H24
• Molecular Mass: 312.44736
• Monoisotopic Mass: 312.18780077
• SMILES: C1Cc2c3CCc4c1c1CCc2c2CCc1c1CCc2c3CCc41
• Canonical SMILES: C1Cc2c3CCc4c1c1CCc2c2c5c3CCc4c(c1CC2)CC5
• InChI: InChI=1S/C24H24/c1-2-14-17-5-3-15-13(1)16-4-6-18(14)22-10-8-20(16)23-11-12-24(22)21(17)9-7-19(15)23/h1-12H2
• InChIKey: BVTYOCKAKQQPEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptacyclo[16.6.0.0^2,^9.0^5,^2^2.0^6,^1^3.0^1^0,^1^7.0^1^4,^2^1]tetracosa-1,5(22),6(13),9,14(21),17-hexaene
• IUPAC Traditional name: superphane
• Synonyms: Superphane

Database IDs

• CAS Number: 60144-50-5
• PubChem SID: 162223961
• PubChem CID: 143678
• Chemspider ID: 126757
• Wikipedia Title: Superphane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.325193
• LogD (pH = 7.4): 7.325193
• Log P: 7.325193
• Molar Refractivity: 101.7972 cm^3
• Polarizability: 37.48772 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false