9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;4-[3,5-di(carbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile;2-[3,5-di(carbazol-9-yl)phenyl]-4-isocyanobenzonitrile

C164H92N20 — CID 163706513

About 9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;4-[3,5-di(carbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile;2-[3,5-di(carbazol-9-yl)phenyl]-4-isocyanobenzonitrile

9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;4-[3,5-di(carbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile;2-[3,5-di(carbazol-9-yl)phenyl]-4-isocyanobenzonitrile (PubChem CID 163706513) has the molecular formula C164H92N20 and a molecular weight of 2342.68 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;4-[3,5-di(carbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile;2-[3,5-di(carbazol-9-yl)phenyl]-4-isocyanobenzonitrile.

Molecular Properties

• Compound Name: 9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;4-[3,5-di(carbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile;2-[3,5-di(carbazol-9-yl)phenyl]-4-isocyanobenzonitrile
• PubChem CID: 163706513
• Molecular Formula: C164H92N20
• Molecular Weight: 2342.68 g/mol
• Exact Mass: 2340.78
• IUPAC Name: 9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;4-[3,5-di(carbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile;2-[3,5-di(carbazol-9-yl)phenyl]-4-isocyanobenzonitrile
• SMILES: N#Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1C#N.N#Cc1ccc(-c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c2)cc1.N#Cc1cccc(-c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c2)c1.[C-]#[N+]c1ccc(C#N)c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1
• InChI: InChI=1S/2C44H24N6.2C38H22N4/c45-25-28-8-7-9-31(20-28)33-10-1-2-11-34(33)32-23-43(49-39-14-5-3-12-35(39)36-13-4-6-15-40(36)49)48-44(24-32)50-41-18-16-29(26-46)21-37(41)38-22-30(27-47)17-19-42(38)50;45-25-28-13-17-31(18-14-28)33-7-1-2-8-34(33)32-23-43(49-39-11-5-3-9-35(39)36-10-4-6-12-40(36)49)48-44(24-32)50-41-19-15-29(26-46)21-37(41)38-22-30(27-47)16-20-42(38)50;1-40-27-19-18-25(24-39)34(22-27)26-20-28(41-35-14-6-2-10-30(35)31-11-3-7-15-36(31)41)23-29(21-26)42-37-16-8-4-12-32(37)33-13-5-9-17-38(33)42;39-23-26-18-17-25(19-28(26)24-40)27-20-29(41-35-13-5-1-9-31(35)32-10-2-6-14-36(32)41)22-30(21-27)42-37-15-7-3-11-33(37)34-12-4-8-16-38(34)42/h2*1-24H;2-23H;1-22H
• InChIKey: KFNPKUCXAKUGSL-UHFFFAOYSA-N
• XLogP: 39.71
• TPSA: 283.69 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2342.68
LogP ≤ 5	39.71
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-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;4-[3,5-di(carbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile;2-[3,5-di(carbazol-9-yl)phenyl]-4-isocyanobenzonitrile?

The IUPAC name of 9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;4-[3,5-di(carbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile;2-[3,5-di(carbazol-9-yl)phenyl]-4-isocyanobenzonitrile (CID 163706513) is 9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;4-[3,5-di(carbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile;2-[3,5-di(carbazol-9-yl)phenyl]-4-isocyanobenzonitrile.

What is the SMILES notation for 9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;4-[3,5-di(carbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile;2-[3,5-di(carbazol-9-yl)phenyl]-4-isocyanobenzonitrile?

The canonical SMILES for 9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;4-[3,5-di(carbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile;2-[3,5-di(carbazol-9-yl)phenyl]-4-isocyanobenzonitrile is N#Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1C#N.N#Cc1ccc(-c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c2)cc1.N#Cc1cccc(-c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c2)c1.[C-]#[N+]c1ccc(C#N)c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.

What is the InChIKey of 9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;4-[3,5-di(carbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile;2-[3,5-di(carbazol-9-yl)phenyl]-4-isocyanobenzonitrile?

The InChIKey is KFNPKUCXAKUGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H24N6.2C38H22N4/c45-25-28-8-7-9-31(20-28)33-10-1-2-11-34(33)32-23-43(49-39-14-5-3-12-35(39)36-13-4-6-15-40(36)49)48-44(24-32)50-41-18-16-29(26-46)21-37(41)38-22-30(27-47)17-19-42(38)50;45-25-28-13-17-31(18-14-28)33-7-1-2-8-34(33)32-23-43(49-39-11-5-3-9-35(39)36-10-4-6-12-40(36)49)48-44(24-32)50-41-19-15-29(26-46)21-37(41)38-22-30(27-47)16-20-42(38)50;1-40-27-19-18-25(24-39)34(22-27)26-20-28(41-35-14-6-2-10-30(35)31-11-3-7-15-36(31)41)23-29(21-26)42-37-16-8-4-12-32(37)33-13-5-9-17-38(33)42;39-23-26-18-17-25(19-28(26)24-40)27-20-29(41-35-13-5-1-9-31(35)32-10-2-6-14-36(32)41)22-30(21-27)42-37-15-7-3-11-33(37)34-12-4-8-16-38(34)42/h2*1-24H;2-23H;1-22H.

What are the key properties of 9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;4-[3,5-di(carbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile;2-[3,5-di(carbazol-9-yl)phenyl]-4-isocyanobenzonitrile?

9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;4-[3,5-di(carbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile;2-[3,5-di(carbazol-9-yl)phenyl]-4-isocyanobenzonitrile has a molecular weight of 2342.68 g/mol, XLogP of 39.71, 14 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-carbazol-9-yl-4-[2-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;4-[3,5-di(carbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile;2-[3,5-di(carbazol-9-yl)phenyl]-4-isocyanobenzonitrile is sourced from PubChem (CID 163706513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).