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

C176H104N16 — CID 157470451

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

5-carbazol-9-yl-2-[3-[2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile (PubChem CID 157470451) has the molecular formula C176H104N16 and a molecular weight of 2442.88 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-[3-[2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-carbazol-9-yl-2-[3-[2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
• PubChem CID: 157470451
• Molecular Formula: C176H104N16
• Molecular Weight: 2442.88 g/mol
• Exact Mass: 2440.86
• IUPAC Name: 5-carbazol-9-yl-2-[3-[2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
• SMILES: N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1-c1ccc(-n2c3ccccc3c3c(C#N)cccc32)cc1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C#N)c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3ccccc3-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4C#N)c3)c2c1.[C-]#[N+]c1cccc2c3ccccc3n(-c3ccccc3-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4C#N)c3)c12
• InChI: InChI=1S/4C44H26N4/c1-46-39-19-11-18-38-37-17-5-9-23-43(37)48(44(38)39)40-20-6-2-14-34(40)30-13-10-12-29(26-30)33-25-24-32(27-31(33)28-45)47-41-21-7-3-15-35(41)36-16-4-8-22-42(36)47;1-46-32-21-24-44-39(27-32)38-16-5-9-20-43(38)48(44)40-17-6-2-13-35(40)30-12-10-11-29(25-30)34-23-22-33(26-31(34)28-45)47-41-18-7-3-14-36(41)37-15-4-8-19-42(37)47;1-46-32-21-23-39-38-16-5-9-20-43(38)48(44(39)27-32)40-17-6-2-13-35(40)30-12-10-11-29(25-30)34-24-22-33(26-31(34)28-45)47-41-18-7-3-14-36(41)37-15-4-8-19-42(37)47;45-27-31-21-20-30(34-11-1-5-15-39(34)48-40-16-6-2-12-35(40)36-13-3-7-17-41(36)48)26-38(31)29-22-24-33(25-23-29)47-42-18-8-4-14-37(42)44-32(28-46)10-9-19-43(44)47/h3*2-27H;1-26H
• InChIKey: BUYWXBFPUIZHCX-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 5-carbazol-9-yl-2-[3-[2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile?

The IUPAC name of 5-carbazol-9-yl-2-[3-[2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile (CID 157470451) is 5-carbazol-9-yl-2-[3-[2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile.

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

The canonical SMILES for 5-carbazol-9-yl-2-[3-[2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile is N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1-c1ccc(-n2c3ccccc3c3c(C#N)cccc32)cc1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C#N)c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3ccccc3-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4C#N)c3)c2c1.[C-]#[N+]c1cccc2c3ccccc3n(-c3ccccc3-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4C#N)c3)c12.

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

The InChIKey is BUYWXBFPUIZHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C44H26N4/c1-46-39-19-11-18-38-37-17-5-9-23-43(37)48(44(38)39)40-20-6-2-14-34(40)30-13-10-12-29(26-30)33-25-24-32(27-31(33)28-45)47-41-21-7-3-15-35(41)36-16-4-8-22-42(36)47;1-46-32-21-24-44-39(27-32)38-16-5-9-20-43(38)48(44)40-17-6-2-13-35(40)30-12-10-11-29(25-30)34-23-22-33(26-31(34)28-45)47-41-18-7-3-14-36(41)37-15-4-8-19-42(37)47;1-46-32-21-23-39-38-16-5-9-20-43(38)48(44(39)27-32)40-17-6-2-13-35(40)30-12-10-11-29(25-30)34-24-22-33(26-31(34)28-45)47-41-18-7-3-14-36(41)37-15-4-8-19-42(37)47;45-27-31-21-20-30(34-11-1-5-15-39(34)48-40-16-6-2-12-35(40)36-13-3-7-17-41(36)48)26-38(31)29-22-24-33(25-23-29)47-42-18-8-4-14-37(42)44-32(28-46)10-9-19-43(44)47/h3*2-27H;1-26H.

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

5-carbazol-9-yl-2-[3-[2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-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 5-carbazol-9-yl-2-[3-[2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;5-carbazol-9-yl-2-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile is sourced from PubChem (CID 157470451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).