9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile

C180H100N20 — CID 158770290

About 9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile

9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile (PubChem CID 158770290) has the molecular formula C180H100N20 and a molecular weight of 2542.92 g/mol. Its IUPAC name is 9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile.

Molecular Properties

• Compound Name: 9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
• PubChem CID: 158770290
• Molecular Formula: C180H100N20
• Molecular Weight: 2542.92 g/mol
• Exact Mass: 2540.84
• IUPAC Name: 9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1c(C#N)cccc1n2-c1ccccc1-c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1C#N.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(-c2cccc(-n3c4ccccc4c4cccc(C#N)c43)c2)cc1C#N.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccccc1-c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1C#N.[C-]#[N+]c1ccc2c3cc(C#N)ccc3n(-c3ccccc3-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3C#N)c2c1
• InChI: InChI=1S/4C45H25N5/c1-48-33-19-21-39-40-23-29(27-46)17-22-44(40)50(45(39)26-33)43-16-7-2-11-36(43)35-20-18-31(24-32(35)28-47)30-9-8-10-34(25-30)49-41-14-5-3-12-37(41)38-13-4-6-15-42(38)49;1-48-33-19-22-45-40(26-33)39-23-29(27-46)17-21-44(39)50(45)43-16-7-2-11-36(43)35-20-18-31(24-32(35)28-47)30-9-8-10-34(25-30)49-41-14-5-3-12-37(41)38-13-4-6-15-42(38)49;46-26-29-19-22-43-39(23-29)45-32(27-47)10-8-18-44(45)50(43)42-17-6-1-12-36(42)35-21-20-31(24-33(35)28-48)30-9-7-11-34(25-30)49-40-15-4-2-13-37(40)38-14-3-5-16-41(38)49;46-26-29-19-22-44-40(23-29)38-14-3-6-18-43(38)50(44)42-17-5-1-12-36(42)35-21-20-31(24-33(35)28-48)30-9-7-11-34(25-30)49-41-16-4-2-13-37(41)39-15-8-10-32(27-47)45(39)49/h2*2-26H;2*1-25H
• InChIKey: IPTWGEREOQOYTC-UHFFFAOYSA-N
• XLogP: 44.68
• TPSA: 286.06 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2542.92
LogP ≤ 5	44.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

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-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?

The IUPAC name of 9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile (CID 158770290) is 9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile.

What is the SMILES notation for 9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?

The canonical SMILES for 9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile is N#Cc1ccc2c(c1)c1c(C#N)cccc1n2-c1ccccc1-c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1C#N.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(-c2cccc(-n3c4ccccc4c4cccc(C#N)c43)c2)cc1C#N.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccccc1-c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1C#N.[C-]#[N+]c1ccc2c3cc(C#N)ccc3n(-c3ccccc3-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3C#N)c2c1.

What is the InChIKey of 9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?

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

What are the key properties of 9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile?

9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile has a molecular weight of 2542.92 g/mol, XLogP of 44.68, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 158770290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).