3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile

C102H56N12 — CID 160865393

About 3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile

3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile (PubChem CID 160865393) has the molecular formula C102H56N12 and a molecular weight of 1449.65 g/mol. Its IUPAC name is 3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile
• PubChem CID: 160865393
• Molecular Formula: C102H56N12
• Molecular Weight: 1449.65 g/mol
• Exact Mass: 1448.48
• IUPAC Name: 3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile
• SMILES: [C-]#[N+]c1cc(-c2cccc(C#N)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(C#N)ccc54)ccc32)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1cc(-c2ccccc2-n2c3ccc([N+]#[C-])cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1
• InChI: InChI=1S/2C51H28N6/c1-52-33-20-23-49-42(29-33)41-15-7-11-19-48(41)56(49)37-27-32(26-35(28-37)54-3)38-12-4-8-16-45(38)57-50-24-21-34(53-2)30-43(50)44-31-36(22-25-51(44)57)55-46-17-9-5-13-39(46)40-14-6-10-18-47(40)55;1-54-35-26-34(27-37(28-35)56-45-17-6-2-12-39(45)40-13-3-7-18-46(40)56)38-16-10-11-33(31-53)51(38)57-48-20-9-5-15-42(48)44-29-36(22-24-50(44)57)55-47-19-8-4-14-41(47)43-25-32(30-52)21-23-49(43)55/h4-31H;2-29H
• InChIKey: SLAWMVGMLJAHQS-UHFFFAOYSA-N
• XLogP: 27.24
• TPSA: 94.60 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1449.65
LogP ≤ 5	27.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile?

The IUPAC name of 3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile (CID 160865393) is 3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile.

What is the SMILES notation for 3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile?

The canonical SMILES for 3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile is [C-]#[N+]c1cc(-c2cccc(C#N)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(C#N)ccc54)ccc32)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1cc(-c2ccccc2-n2c3ccc([N+]#[C-])cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.

What is the InChIKey of 3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile?

The InChIKey is SLAWMVGMLJAHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H28N6/c1-52-33-20-23-49-42(29-33)41-15-7-11-19-48(41)56(49)37-27-32(26-35(28-37)54-3)38-12-4-8-16-45(38)57-50-24-21-34(53-2)30-43(50)44-31-36(22-25-51(44)57)55-46-17-9-5-13-39(46)40-14-6-10-18-47(40)55;1-54-35-26-34(27-37(28-35)56-45-17-6-2-12-39(45)40-13-3-7-18-46(40)56)38-16-10-11-33(31-53)51(38)57-48-20-9-5-15-42(48)44-29-36(22-24-50(44)57)55-47-19-8-4-14-41(47)43-25-32(30-52)21-23-49(43)55/h4-31H;2-29H.

What are the key properties of 3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile?

3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile has a molecular weight of 1449.65 g/mol, XLogP of 27.24, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-6-isocyano-9-[2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;9-[9-[2-(3-carbazol-9-yl-5-isocyanophenyl)-6-cyanophenyl]carbazol-3-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 160865393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).