3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile

C176H104N16 — CID 165053501

About 3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile

3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 165053501) has the molecular formula C176H104N16 and a molecular weight of 2442.88 g/mol. Its IUPAC name is 3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile
• PubChem CID: 165053501
• Molecular Formula: C176H104N16
• Molecular Weight: 2442.88 g/mol
• Exact Mass: 2440.86
• IUPAC Name: 3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)ccc2-n2c3ccccc3c3ccccc32)cc1C#N.N#Cc1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c([N+]#[C-])cc(-c2ccccc2)cc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1-c1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(C#N)c1
• InChI: InChI=1S/C45H25N5.2C44H26N4.C43H27N3/c1-48-34-18-22-45-39(26-34)36-12-6-8-14-42(36)50(45)43-21-16-31(30-9-3-2-4-10-30)25-37(43)32-17-20-40(33(24-32)28-47)49-41-13-7-5-11-35(41)38-23-29(27-46)15-19-44(38)49;1-45-32-22-25-43-38(28-32)36-16-8-11-19-42(36)48(43)44-37(26-31(27-39(44)46-2)29-12-4-3-5-13-29)30-20-23-33(24-21-30)47-40-17-9-6-14-34(40)35-15-7-10-18-41(35)47;45-27-29-18-21-44-38(24-29)36-14-6-9-17-42(36)47(44)39-22-20-32(25-33(39)28-46)37-26-31(30-10-2-1-3-11-30)19-23-43(37)48-40-15-7-4-12-34(40)35-13-5-8-16-41(35)48;44-28-29-10-9-11-31(26-29)32-22-25-43(46-41-18-7-3-14-36(41)37-15-4-8-19-42(37)46)38(27-32)30-20-23-33(24-21-30)45-39-16-5-1-12-34(39)35-13-2-6-17-40(35)45/h2-26H;3-28H;1-26H;1-27H
• InChIKey: QAPORSXELGQQTH-UHFFFAOYSA-N
• XLogP: 45.87
• TPSA: 171.47 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2442.88
LogP ≤ 5	45.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile?

The IUPAC name of 3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile (CID 165053501) is 3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile.

What is the SMILES notation for 3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile?

The canonical SMILES for 3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)ccc2-n2c3ccccc3c3ccccc32)cc1C#N.N#Cc1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c([N+]#[C-])cc(-c2ccccc2)cc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1-c1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(C#N)c1.

What is the InChIKey of 3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile?

The InChIKey is QAPORSXELGQQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5.2C44H26N4.C43H27N3/c1-48-34-18-22-45-39(26-34)36-12-6-8-14-42(36)50(45)43-21-16-31(30-9-3-2-4-10-30)25-37(43)32-17-20-40(33(24-32)28-47)49-41-13-7-5-11-35(41)38-23-29(27-46)15-19-44(38)49;1-45-32-22-25-43-38(28-32)36-16-8-11-19-42(36)48(43)44-37(26-31(27-39(44)46-2)29-12-4-3-5-13-29)30-20-23-33(24-21-30)47-40-17-9-6-14-34(40)35-15-7-10-18-41(35)47;45-27-29-18-21-44-38(24-29)36-14-6-9-17-42(36)47(44)39-22-20-32(25-33(39)28-46)37-26-31(30-10-2-1-3-11-30)19-23-43(37)48-40-15-7-4-12-34(40)35-13-5-8-16-41(35)48;44-28-29-10-9-11-31(26-29)32-22-25-43(46-41-18-7-3-14-36(41)37-15-4-8-19-42(37)46)38(27-32)30-20-23-33(24-21-30)45-39-16-5-1-12-34(39)35-13-2-6-17-40(35)45/h2-26H;3-28H;1-26H;1-27H.

What are the key properties of 3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile?

3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 2442.88 g/mol, XLogP of 45.87, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 165053501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).