9-[6-carbazol-9-yl-4-[6-(3-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[6-(4-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile

C129H71N19 — CID 158004247

About 9-[6-carbazol-9-yl-4-[6-(3-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[6-(4-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile

9-[6-carbazol-9-yl-4-[6-(3-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[6-(4-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile (PubChem CID 158004247) has the molecular formula C129H71N19 and a molecular weight of 1887.12 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-4-[6-(3-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[6-(4-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[6-carbazol-9-yl-4-[6-(3-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[6-(4-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile
• PubChem CID: 158004247
• Molecular Formula: C129H71N19
• Molecular Weight: 1887.12 g/mol
• Exact Mass: 1885.61
• IUPAC Name: 9-[6-carbazol-9-yl-4-[6-(3-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[6-(4-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile
• SMILES: N#Cc1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)c3)n2)cc1.N#Cc1cccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)c3)n2)c1.[C-]#[N+]c1ccccc1-c1cccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1
• InChI: InChI=1S/2C43H23N7.C43H25N5/c44-24-27-7-5-8-30(19-27)36-11-6-12-37(47-36)31-22-42(49-38-13-3-1-9-32(38)33-10-2-4-14-39(33)49)48-43(23-31)50-40-17-15-28(25-45)20-34(40)35-21-29(26-46)16-18-41(35)50;44-24-27-12-16-30(17-13-27)36-8-5-9-37(47-36)31-22-42(49-38-10-3-1-6-32(38)33-7-2-4-11-39(33)49)48-43(23-31)50-40-18-14-28(25-45)20-34(40)35-21-29(26-46)15-19-41(35)50;1-45-37-17-6-2-13-32(37)30-12-10-11-29(24-30)31-25-42(47-38-18-7-3-14-33(38)34-15-4-8-19-39(34)47)46-43(26-31)48-40-20-9-5-16-35(40)36-23-28(27-44)21-22-41(36)48/h2*1-23H;2-26H
• InChIKey: FECCQFQOEDIHBC-UHFFFAOYSA-N
• XLogP: 30.27
• TPSA: 264.92 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1887.12
LogP ≤ 5	30.27
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-[6-carbazol-9-yl-4-[6-(3-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[6-(4-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile?

The IUPAC name of 9-[6-carbazol-9-yl-4-[6-(3-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[6-(4-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile (CID 158004247) is 9-[6-carbazol-9-yl-4-[6-(3-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[6-(4-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile.

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

The canonical SMILES for 9-[6-carbazol-9-yl-4-[6-(3-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[6-(4-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile is N#Cc1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)c3)n2)cc1.N#Cc1cccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)c3)n2)c1.[C-]#[N+]c1ccccc1-c1cccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1.

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

The InChIKey is FECCQFQOEDIHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H23N7.C43H25N5/c44-24-27-7-5-8-30(19-27)36-11-6-12-37(47-36)31-22-42(49-38-13-3-1-9-32(38)33-10-2-4-14-39(33)49)48-43(23-31)50-40-17-15-28(25-45)20-34(40)35-21-29(26-46)16-18-41(35)50;44-24-27-12-16-30(17-13-27)36-8-5-9-37(47-36)31-22-42(49-38-10-3-1-6-32(38)33-7-2-4-11-39(33)49)48-43(23-31)50-40-18-14-28(25-45)20-34(40)35-21-29(26-46)15-19-41(35)50;1-45-37-17-6-2-13-32(37)30-12-10-11-29(24-30)31-25-42(47-38-18-7-3-14-33(38)34-15-4-8-19-39(34)47)46-43(26-31)48-40-20-9-5-16-35(40)36-23-28(27-44)21-22-41(36)48/h2*1-23H;2-26H.

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

9-[6-carbazol-9-yl-4-[6-(3-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[6-(4-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile has a molecular weight of 1887.12 g/mol, XLogP of 30.27, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-carbazol-9-yl-4-[6-(3-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[6-(4-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile is sourced from PubChem (CID 158004247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).