2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile

C176H104N16 — CID 161355143

About 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile

2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile (PubChem CID 161355143) has the molecular formula C176H104N16 and a molecular weight of 2442.88 g/mol. Its IUPAC name is 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
• PubChem CID: 161355143
• Molecular Formula: C176H104N16
• Molecular Weight: 2442.88 g/mol
• Exact Mass: 2440.86
• IUPAC Name: 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
• SMILES: [C-]#[N+]c1cccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3C#N)cc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc(-c2ccc(-c3cc(C#N)cc(-n4c5ccccc5c5ccccc54)c3)cc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc(-c2ccc(-c3ccc(C#N)c(-n4c5ccccc5c5ccccc54)c3)cc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c(C#N)c2)c1-n1c2ccccc2c2ccccc21
• InChI: InChI=1S/4C44H26N4/c1-46-39-19-11-18-34(44(39)48-42-22-8-4-16-37(42)38-17-5-9-23-43(38)48)30-24-25-33(31(26-30)28-45)29-12-10-13-32(27-29)47-40-20-6-2-14-35(40)36-15-3-7-21-41(36)47;1-46-39-16-10-15-34(44(39)48-42-19-8-4-13-37(42)38-14-5-9-20-43(38)48)31-23-21-30(22-24-31)32-25-29(28-45)26-33(27-32)47-40-17-6-2-11-35(40)36-12-3-7-18-41(36)47;1-46-39-16-10-15-33(44(39)48-42-19-8-4-13-36(42)37-14-5-9-20-43(37)48)29-21-23-30(24-22-29)38-27-32(26-25-31(38)28-45)47-40-17-6-2-11-34(40)35-12-3-7-18-41(35)47;1-46-38-16-10-15-33(44(38)48-41-19-8-4-13-36(41)37-14-5-9-20-42(37)48)30-23-21-29(22-24-30)31-25-26-32(28-45)43(27-31)47-39-17-6-2-11-34(39)35-12-3-7-18-40(35)47/h4*2-27H
• InChIKey: VOLCZFBIDWITQH-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 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile?

The IUPAC name of 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile (CID 161355143) is 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile.

What is the SMILES notation for 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile?

The canonical SMILES for 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile is [C-]#[N+]c1cccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3C#N)cc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc(-c2ccc(-c3cc(C#N)cc(-n4c5ccccc5c5ccccc54)c3)cc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc(-c2ccc(-c3ccc(C#N)c(-n4c5ccccc5c5ccccc54)c3)cc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c(C#N)c2)c1-n1c2ccccc2c2ccccc21.

What is the InChIKey of 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile?

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

What are the key properties of 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile?

2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)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 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile is sourced from PubChem (CID 161355143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).