9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile

C176H104N16 — CID 158431432

About 9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile

9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile (PubChem CID 158431432) has the molecular formula C176H104N16 and a molecular weight of 2442.88 g/mol. Its IUPAC name is 9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

• Compound Name: 9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
• PubChem CID: 158431432
• Molecular Formula: C176H104N16
• Molecular Weight: 2442.88 g/mol
• Exact Mass: 2440.86
• IUPAC Name: 9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
• SMILES: N#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1ccccc1-n1c2ccccc2c2c(C#N)cccc21.N#Cc1ccc2c3ccccc3n(-c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)c(C#N)c4)cc3)c2c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1C#N.[C-]#[N+]c1cccc2c3ccccc3n(-c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)c(C#N)c4)cc3)c12
• InChI: InChI=1S/4C44H26N4/c1-46-39-16-10-15-38-37-14-5-6-17-40(37)47(44(38)39)32-24-21-29(22-25-32)30-23-26-33(31(27-30)28-45)34-11-2-7-18-41(34)48-42-19-8-3-12-35(42)36-13-4-9-20-43(36)48;1-46-32-21-25-44-39(27-32)38-13-5-9-17-43(38)48(44)42-16-8-2-10-35(42)34-24-20-30(26-31(34)28-45)29-18-22-33(23-19-29)47-40-14-6-3-11-36(40)37-12-4-7-15-41(37)47;45-27-31-10-9-19-43-44(31)38-14-4-8-18-42(38)48(43)41-17-7-1-11-35(41)34-25-22-30(26-32(34)28-46)29-20-23-33(24-21-29)47-39-15-5-2-12-36(39)37-13-3-6-16-40(37)47;45-27-29-17-23-39-38-12-2-5-13-40(38)47(44(39)25-29)33-21-18-30(19-22-33)31-20-24-34(32(26-31)28-46)35-9-1-6-14-41(35)48-42-15-7-3-10-36(42)37-11-4-8-16-43(37)48/h2*2-27H;2*1-26H
• InChIKey: HBRWGMYKVXFUIH-UHFFFAOYSA-N
• XLogP: 45.19
• TPSA: 190.90 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2442.88
LogP ≤ 5	45.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile?

The IUPAC name of 9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile (CID 158431432) is 9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile.

What is the SMILES notation for 9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile?

The canonical SMILES for 9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile is N#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1ccccc1-n1c2ccccc2c2c(C#N)cccc21.N#Cc1ccc2c3ccccc3n(-c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)c(C#N)c4)cc3)c2c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1C#N.[C-]#[N+]c1cccc2c3ccccc3n(-c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)c(C#N)c4)cc3)c12.

What is the InChIKey of 9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile?

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

What are the key properties of 9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile?

9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile has a molecular weight of 2442.88 g/mol, XLogP of 45.19, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile;9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2-carbonitrile;2-(2-carbazol-9-ylphenyl)-5-[4-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile;5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 158431432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).