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

C44H24N6 — CID 121312485

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

9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile (PubChem CID 121312485) has the molecular formula C44H24N6 and a molecular weight of 636.72 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

• Compound Name: 9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
• PubChem CID: 121312485
• Molecular Formula: C44H24N6
• Molecular Weight: 636.72 g/mol
• Exact Mass: 636.21
• IUPAC Name: 9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
• SMILES: N#Cc1cccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)c3)c2)c1
• InChI: InChI=1S/C44H24N6/c45-25-28-7-5-8-31(19-28)32-9-6-10-33(22-32)34-23-43(49-39-13-3-1-11-35(39)36-12-2-4-14-40(36)49)48-44(24-34)50-41-17-15-29(26-46)20-37(41)38-21-30(27-47)16-18-42(38)50/h1-24H
• InChIKey: PXJDASXFLRPZGZ-UHFFFAOYSA-N
• XLogP: 10.22
• TPSA: 94.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.72
LogP ≤ 5	10.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile?

The IUPAC name of 9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile (CID 121312485) is 9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile.

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

The canonical SMILES for 9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile is N#Cc1cccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)c3)c2)c1.

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

The InChIKey is PXJDASXFLRPZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N6/c45-25-28-7-5-8-31(19-28)32-9-6-10-33(22-32)34-23-43(49-39-13-3-1-11-35(39)36-12-2-4-14-40(36)49)48-44(24-34)50-41-17-15-29(26-46)20-37(41)38-21-30(27-47)16-18-42(38)50/h1-24H.

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

9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile has a molecular weight of 636.72 g/mol, XLogP of 10.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 121312485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).