bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine

C122H91N13 — CID 159122410

About bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine

bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine (PubChem CID 159122410) has the molecular formula C122H91N13 and a molecular weight of 1739.16 g/mol. Its IUPAC name is bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine.

Molecular Properties

• Compound Name: bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine
• PubChem CID: 159122410
• Molecular Formula: C122H91N13
• Molecular Weight: 1739.16 g/mol
• Exact Mass: 1737.75
• IUPAC Name: bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine
• SMILES: Cn1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cccnc21.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cn1c2ccncc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cn1c2ccncc2c2cc(N(c3ccccc3)c3ccccc3)ccc21
• InChI: InChI=1S/2C25H18N2.C24H17N3.2C24H19N3/c2*1-26-22-11-5-2-10-20(22)21-16-17(14-15-23(21)26)27-24-12-6-3-8-18(24)19-9-4-7-13-25(19)27;1-26-21-11-10-16(14-19(21)20-15-25-13-12-22(20)26)27-23-8-4-2-6-17(23)18-7-3-5-9-24(18)27;1-26-23-15-14-20(17-22(23)21-13-8-16-25-24(21)26)27(18-9-4-2-5-10-18)19-11-6-3-7-12-19;1-26-23-13-12-20(16-21(23)22-17-25-15-14-24(22)26)27(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2*2-16H,1H3;2-15H,1H3;2*2-17H,1H3
• InChIKey: KFVZDKIGFUMRHA-UHFFFAOYSA-N
• XLogP: 31.07
• TPSA: 84.59 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1739.16
LogP ≤ 5	31.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine?

The IUPAC name of bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine (CID 159122410) is bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine.

What is the SMILES notation for bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine?

The canonical SMILES for bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine is Cn1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cccnc21.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cn1c2ccncc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cn1c2ccncc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.

What is the InChIKey of bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine?

The InChIKey is KFVZDKIGFUMRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H18N2.C24H17N3.2C24H19N3/c2*1-26-22-11-5-2-10-20(22)21-16-17(14-15-23(21)26)27-24-12-6-3-8-18(24)19-9-4-7-13-25(19)27;1-26-21-11-10-16(14-19(21)20-15-25-13-12-22(20)26)27-23-8-4-2-6-17(23)18-7-3-5-9-24(18)27;1-26-23-15-14-20(17-22(23)21-13-8-16-25-24(21)26)27(18-9-4-2-5-10-18)19-11-6-3-7-12-19;1-26-23-13-12-20(16-21(23)22-17-25-15-14-24(22)26)27(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2*2-16H,1H3;2-15H,1H3;2*2-17H,1H3.

What are the key properties of bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine?

bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine has a molecular weight of 1739.16 g/mol, XLogP of 31.07, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine is sourced from PubChem (CID 159122410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).