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

C176H104N16 — CID 162222282

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

4-carbazol-9-yl-3-[4-[3-(4-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(1-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(2-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile (PubChem CID 162222282) has the molecular formula C176H104N16 and a molecular weight of 2442.88 g/mol. Its IUPAC name is 4-carbazol-9-yl-3-[4-[3-(4-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(1-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(2-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile.

Molecular Properties

• Compound Name: 4-carbazol-9-yl-3-[4-[3-(4-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(1-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(2-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile
• PubChem CID: 162222282
• Molecular Formula: C176H104N16
• Molecular Weight: 2442.88 g/mol
• Exact Mass: 2440.86
• IUPAC Name: 4-carbazol-9-yl-3-[4-[3-(4-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(1-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(2-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile
• SMILES: [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.[C-]#[N+]c1ccc2c3ccccc3n(-c3cccc(C#N)c3-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c2c1.[C-]#[N+]c1cccc2c1c1ccccc1n2-c1cccc(-c2ccc(-c3cc(C#N)ccc3-n3c4ccccc4c4ccccc43)cc2)c1.[C-]#[N+]c1cccc2c3ccccc3n(-c3cccc(C#N)c3-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c12
• InChI: InChI=1S/4C44H26N4/c1-46-38-18-10-17-37-36-16-4-7-21-41(36)48(44(37)38)42-22-9-12-32(28-45)43(42)30-25-23-29(24-26-30)31-11-8-13-33(27-31)47-39-19-5-2-14-34(39)35-15-3-6-20-40(35)47;1-46-33-24-25-42-38(27-33)37-15-4-7-18-41(37)48(42)43-19-9-11-32(28-45)44(43)30-22-20-29(21-23-30)31-10-8-12-34(26-31)47-39-16-5-2-13-35(39)36-14-3-6-17-40(36)47;1-46-33-24-25-38-37-15-4-7-18-41(37)48(43(38)27-33)42-19-9-11-32(28-45)44(42)30-22-20-29(21-23-30)31-10-8-12-34(26-31)47-39-16-5-2-13-35(39)36-14-3-6-17-40(36)47;1-46-38-15-9-19-43-44(38)36-14-4-7-18-41(36)47(43)33-11-8-10-32(27-33)30-21-23-31(24-22-30)37-26-29(28-45)20-25-42(37)48-39-16-5-2-12-34(39)35-13-3-6-17-40(35)48/h4*2-27H
• InChIKey: ZUGYRTKJMDMSBD-UHFFFAOYSA-N
• XLogP: 46.55
• TPSA: 152.04 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2442.88
LogP ≤ 5	46.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-carbazol-9-yl-3-[4-[3-(4-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(1-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(2-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile (CID 162222282) is 4-carbazol-9-yl-3-[4-[3-(4-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(1-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(2-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile.

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

The canonical SMILES for 4-carbazol-9-yl-3-[4-[3-(4-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(1-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(2-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.[C-]#[N+]c1ccc2c3ccccc3n(-c3cccc(C#N)c3-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c2c1.[C-]#[N+]c1cccc2c1c1ccccc1n2-c1cccc(-c2ccc(-c3cc(C#N)ccc3-n3c4ccccc4c4ccccc43)cc2)c1.[C-]#[N+]c1cccc2c3ccccc3n(-c3cccc(C#N)c3-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c12.

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

The InChIKey is ZUGYRTKJMDMSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C44H26N4/c1-46-38-18-10-17-37-36-16-4-7-21-41(36)48(44(37)38)42-22-9-12-32(28-45)43(42)30-25-23-29(24-26-30)31-11-8-13-33(27-31)47-39-19-5-2-14-34(39)35-15-3-6-20-40(35)47;1-46-33-24-25-42-38(27-33)37-15-4-7-18-41(37)48(42)43-19-9-11-32(28-45)44(43)30-22-20-29(21-23-30)31-10-8-12-34(26-31)47-39-16-5-2-13-35(39)36-14-3-6-17-40(36)47;1-46-33-24-25-38-37-15-4-7-18-41(37)48(43(38)27-33)42-19-9-11-32(28-45)44(42)30-22-20-29(21-23-30)31-10-8-12-34(26-31)47-39-16-5-2-13-35(39)36-14-3-6-17-40(36)47;1-46-38-15-9-19-43-44(38)36-14-4-7-18-41(36)47(43)33-11-8-10-32(27-33)30-21-23-31(24-22-30)37-26-29(28-45)20-25-42(37)48-39-16-5-2-12-34(39)35-13-3-6-17-40(35)48/h4*2-27H.

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

4-carbazol-9-yl-3-[4-[3-(4-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(1-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(2-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile has a molecular weight of 2442.88 g/mol, XLogP of 46.55, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-carbazol-9-yl-3-[4-[3-(4-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(1-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(2-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile is sourced from PubChem (CID 162222282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).