3,20-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene

• ChemBase ID: 294006
• Molecular Formular: C18H10N2
• Molecular Mass: 254.2854
• Monoisotopic Mass: 254.08439833
• SMILES: c12=Nc3ccccc3c1ccc1c2=Nc2ccccc12
• Canonical SMILES: c1ccc2c(c1)N=c1c2ccc2c1=Nc1c2cccc1
• InChI: InChI=1S/C18H10N2/c1-3-7-15-11(5-1)13-9-10-14-12-6-2-4-8-16(12)20-18(14)17(13)19-15/h1-10H
• InChIKey: FQKSBRCHLNOAGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,20-diazapentacyclo[11.7.0.0^2,^1^0.0^4,^9.0^1^4,^1^9]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
• IUPAC Traditional name: 3,20-diazapentacyclo[11.7.0.0^2,^1^0.0^4,^9.0^1^4,^1^9]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
• Synonyms: Indolo[2,3-a]carbazole

Database IDs

• CAS Number: 60511-85-5
• PubChem SID: 180679537
• PubChem CID: 21882147

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.041398
• LogD (pH = 7.4): 5.0416894
• Log P: 5.041693
• Molar Refractivity: 85.4584 cm^3
• Polarizability: 29.911047 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%