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

C180H100N20 — CID 161276657

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

9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[4-cyano-3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 161276657) has the molecular formula C180H100N20 and a molecular weight of 2542.92 g/mol. Its IUPAC name is 9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[4-cyano-3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[4-cyano-3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
• PubChem CID: 161276657
• Molecular Formula: C180H100N20
• Molecular Weight: 2542.92 g/mol
• Exact Mass: 2540.84
• IUPAC Name: 9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[4-cyano-3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1cccc(C#N)c1n2-c1ccccc1-c1ccccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1C#N.N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2-c2ccccc2-n2c3ccccc3c3cc(C#N)ccc32)ccc1C#N.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1-c1ccc(C#N)c(-n2c3ccccc3c3c(C#N)cccc32)c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3cc(-c4ccccc4-c4ccccc4-n4c5ccccc5c5cc(C#N)ccc54)ccc3C#N)c2c1
• InChI: InChI=1S/4C45H25N5/c1-48-32-21-22-38-36-13-5-8-16-41(36)50(45(38)26-32)44-25-30(19-20-31(44)28-47)33-10-2-3-11-34(33)35-12-4-7-15-40(35)49-42-17-9-6-14-37(42)39-24-29(27-46)18-23-43(39)49;46-26-29-23-24-44-38(25-29)37-18-9-11-30(27-47)45(37)50(44)42-21-8-3-14-34(42)32-13-2-1-12-31(32)33-17-10-22-43(39(33)28-48)49-40-19-6-4-15-35(40)36-16-5-7-20-41(36)49;46-26-29-20-23-42-38(24-29)36-14-4-7-17-40(36)49(42)39-16-6-3-13-35(39)34-12-2-1-11-33(34)30-21-22-31(27-47)44(25-30)50-41-18-8-5-15-37(41)45-32(28-48)10-9-19-43(45)50;46-26-29-17-21-43-38(23-29)36-12-4-7-15-41(36)49(43)40-14-6-3-11-35(40)34-10-2-1-9-33(34)31-19-20-32(28-48)45(25-31)50-42-16-8-5-13-37(42)39-24-30(27-47)18-22-44(39)50/h2-26H;3*1-25H
• InChIKey: VENHOUCZIKBSSQ-UHFFFAOYSA-N
• XLogP: 44.00
• TPSA: 305.49 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2542.92
LogP ≤ 5	44.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

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

The IUPAC name of 9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[4-cyano-3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile (CID 161276657) is 9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[4-cyano-3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile.

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

The canonical SMILES for 9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[4-cyano-3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cccc(C#N)c1n2-c1ccccc1-c1ccccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1C#N.N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2-c2ccccc2-n2c3ccccc3c3cc(C#N)ccc32)ccc1C#N.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1-c1ccc(C#N)c(-n2c3ccccc3c3c(C#N)cccc32)c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3cc(-c4ccccc4-c4ccccc4-n4c5ccccc5c5cc(C#N)ccc54)ccc3C#N)c2c1.

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

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

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

9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[4-cyano-3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 2542.92 g/mol, XLogP of 44.00, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[4-cyano-3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[2-[4-cyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 161276657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).