9-[2-[2-carbazol-9-yl-3-(3-isocyanophenyl)phenyl]phenyl]carbazole;2-[3-(2-carbazol-9-ylphenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[2-[3-(2-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile

C176H104N16 — CID 157352545

About 9-[2-[2-carbazol-9-yl-3-(3-isocyanophenyl)phenyl]phenyl]carbazole;2-[3-(2-carbazol-9-ylphenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[2-[3-(2-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile

9-[2-[2-carbazol-9-yl-3-(3-isocyanophenyl)phenyl]phenyl]carbazole;2-[3-(2-carbazol-9-ylphenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[2-[3-(2-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 157352545) has the molecular formula C176H104N16 and a molecular weight of 2442.88 g/mol. Its IUPAC name is 9-[2-[2-carbazol-9-yl-3-(3-isocyanophenyl)phenyl]phenyl]carbazole;2-[3-(2-carbazol-9-ylphenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[2-[3-(2-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[2-[2-carbazol-9-yl-3-(3-isocyanophenyl)phenyl]phenyl]carbazole;2-[3-(2-carbazol-9-ylphenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[2-[3-(2-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
• PubChem CID: 157352545
• Molecular Formula: C176H104N16
• Molecular Weight: 2442.88 g/mol
• Exact Mass: 2440.86
• IUPAC Name: 9-[2-[2-carbazol-9-yl-3-(3-isocyanophenyl)phenyl]phenyl]carbazole;2-[3-(2-carbazol-9-ylphenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[2-[3-(2-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)cccc1-c1cccc(-c2ccccc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2C#N)cccc1-c1ccccc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2C#N)cccc1-c1ccccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C45H25N5.2C44H26N4.C43H27N3/c1-48-31-22-24-44-39(26-31)35-15-6-9-20-42(35)50(44)45-36(32-12-3-2-11-30(32)28-47)16-10-17-37(45)33-13-4-7-18-40(33)49-41-19-8-5-14-34(41)38-25-29(27-46)21-23-43(38)49;1-46-30-25-26-43-38(27-30)35-18-7-11-24-42(35)48(43)44-36(31-14-3-2-13-29(31)28-45)19-12-20-37(44)34-17-6-10-23-41(34)47-39-21-8-4-15-32(39)33-16-5-9-22-40(33)47;45-27-29-24-25-42-38(26-29)35-17-6-9-23-41(35)47(42)43-31(28-46)14-10-19-36(43)37-20-11-18-32(30-12-2-1-3-13-30)44(37)48-39-21-7-4-15-33(39)34-16-5-8-22-40(34)48;1-44-30-15-12-14-29(28-30)31-21-13-22-37(43(31)46-41-26-10-4-18-34(41)35-19-5-11-27-42(35)46)36-20-6-9-25-40(36)45-38-23-7-2-16-32(38)33-17-3-8-24-39(33)45/h2-26H;2-27H;1-26H;2-28H
• InChIKey: BHRYSWFXRIKESC-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 9-[2-[2-carbazol-9-yl-3-(3-isocyanophenyl)phenyl]phenyl]carbazole;2-[3-(2-carbazol-9-ylphenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[2-[3-(2-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?

The IUPAC name of 9-[2-[2-carbazol-9-yl-3-(3-isocyanophenyl)phenyl]phenyl]carbazole;2-[3-(2-carbazol-9-ylphenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[2-[3-(2-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile (CID 157352545) is 9-[2-[2-carbazol-9-yl-3-(3-isocyanophenyl)phenyl]phenyl]carbazole;2-[3-(2-carbazol-9-ylphenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[2-[3-(2-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile.

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

The canonical SMILES for 9-[2-[2-carbazol-9-yl-3-(3-isocyanophenyl)phenyl]phenyl]carbazole;2-[3-(2-carbazol-9-ylphenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[2-[3-(2-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)cccc1-c1cccc(-c2ccccc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2C#N)cccc1-c1ccccc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2C#N)cccc1-c1ccccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1.

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

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

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

9-[2-[2-carbazol-9-yl-3-(3-isocyanophenyl)phenyl]phenyl]carbazole;2-[3-(2-carbazol-9-ylphenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[2-[3-(2-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]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 9-[2-[2-carbazol-9-yl-3-(3-isocyanophenyl)phenyl]phenyl]carbazole;2-[3-(2-carbazol-9-ylphenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[2-[3-(2-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 157352545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).