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

C49H27N7 — CID 121312507

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

9-[4-[2-[2-(4-cyanophenyl)phenyl]phenyl]-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl]carbazole-3,6-dicarbonitrile (PubChem CID 121312507) has the molecular formula C49H27N7 and a molecular weight of 713.80 g/mol. Its IUPAC name is 9-[4-[2-[2-(4-cyanophenyl)phenyl]phenyl]-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

• Compound Name: 9-[4-[2-[2-(4-cyanophenyl)phenyl]phenyl]-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl]carbazole-3,6-dicarbonitrile
• PubChem CID: 121312507
• Molecular Formula: C49H27N7
• Molecular Weight: 713.80 g/mol
• Exact Mass: 713.23
• IUPAC Name: 9-[4-[2-[2-(4-cyanophenyl)phenyl]phenyl]-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl]carbazole-3,6-dicarbonitrile
• SMILES: N#Cc1ccc(-c2ccccc2-c2ccccc2-c2cc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)nc(-n3c4ccccc4c4cccnc43)c2)cc1
• InChI: InChI=1S/C49H27N7/c50-28-31-15-19-34(20-16-31)36-8-1-3-10-38(36)39-11-4-2-9-37(39)35-26-47(54-48(27-35)56-44-14-6-5-12-40(44)41-13-7-23-53-49(41)56)55-45-21-17-32(29-51)24-42(45)43-25-33(30-52)18-22-46(43)55/h1-27H
• InChIKey: ICKGFHLGFDNJMX-UHFFFAOYSA-N
• XLogP: 11.29
• TPSA: 107.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.80
LogP ≤ 5	11.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 9-[4-[2-[2-(4-cyanophenyl)phenyl]phenyl]-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl]carbazole-3,6-dicarbonitrile (CID 121312507) is 9-[4-[2-[2-(4-cyanophenyl)phenyl]phenyl]-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl]carbazole-3,6-dicarbonitrile.

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

The canonical SMILES for 9-[4-[2-[2-(4-cyanophenyl)phenyl]phenyl]-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl]carbazole-3,6-dicarbonitrile is N#Cc1ccc(-c2ccccc2-c2ccccc2-c2cc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)nc(-n3c4ccccc4c4cccnc43)c2)cc1.

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

The InChIKey is ICKGFHLGFDNJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27N7/c50-28-31-15-19-34(20-16-31)36-8-1-3-10-38(36)39-11-4-2-9-37(39)35-26-47(54-48(27-35)56-44-14-6-5-12-40(44)41-13-7-23-53-49(41)56)55-45-21-17-32(29-51)24-42(45)43-25-33(30-52)18-22-46(43)55/h1-27H.

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

9-[4-[2-[2-(4-cyanophenyl)phenyl]phenyl]-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl]carbazole-3,6-dicarbonitrile has a molecular weight of 713.80 g/mol, XLogP of 11.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2-[2-(4-cyanophenyl)phenyl]phenyl]-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 121312507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).