nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2(32),3,5(31),6,8,10,12,14,16,18,20,22,24,26,29-hexadecaene

• ChemBase ID: 127047
• Molecular Formular: C32H16
• Molecular Mass: 400.46944
• Monoisotopic Mass: 400.12520051
• SMILES: c1cc2=c3ccc4c5ccc6=c7ccccc7=c7c6c5c(c5c4c3c(=c2cc1)cc5)cc7
• Canonical SMILES: c1ccc2=c3c4c(=c2c1)ccc1c4c(cc3)c2c3c1ccc1=c4c(=c(c31)cc2)cccc4
• InChI: InChI=1S/C32H16/c1-2-6-18-17(5-1)21-9-13-25-27-15-11-23-19-7-3-4-8-20(19)24-12-16-28(32(27)30(23)24)26-14-10-22(18)29(21)31(25)26/h1-16H
• InChIKey: BKMIWBZIQAAZBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonacyclo[17.9.2.2^2,^5.0^3,^1^5.0^4,^1^2.0^6,^1^1.0^1^6,^2^9.0^2^0,^2^5.0^2^6,^3^0]dotriaconta-1(28),2(32),3,5(31),6,8,10,12,14,16,18,20,22,24,26,29-hexadecaene
• IUPAC Traditional name: diindenoperylene
• Synonyms: Periflanthen; Periflanthene; Diindenoperylene

Database IDs

• CAS Number: 188-94-3
• PubChem SID: 162221370
• PubChem CID: 96712
• Chemspider ID: 87318
• Wikipedia Title: Diindenoperylene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.915814
• LogD (pH = 7.4): 7.915814
• Log P: 7.915814
• Molar Refractivity: 131.6016 cm^3
• Polarizability: 61.716072 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Orange solid
• Boiling Point: >330 °C (sublimation)