3-[2-[2-(2-carbazol-9-yl-6-pyrido[2,3-b]indol-9-yl-4-pyridinyl)phenyl]phenyl]benzonitrile

C47H29N5 — CID 121312443

About 3-[2-[2-(2-carbazol-9-yl-6-pyrido[2,3-b]indol-9-yl-4-pyridinyl)phenyl]phenyl]benzonitrile

3-[2-[2-(2-carbazol-9-yl-6-pyrido[2,3-b]indol-9-yl-4-pyridinyl)phenyl]phenyl]benzonitrile (PubChem CID 121312443) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 3-[2-[2-(2-carbazol-9-yl-6-pyrido[2,3-b]indol-9-yl-4-pyridinyl)phenyl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 3-[2-[2-(2-carbazol-9-yl-6-pyrido[2,3-b]indol-9-yl-4-pyridinyl)phenyl]phenyl]benzonitrile
• PubChem CID: 121312443
• Molecular Formula: C47H29N5
• Molecular Weight: 663.78 g/mol
• Exact Mass: 663.24
• IUPAC Name: 3-[2-[2-(2-carbazol-9-yl-6-pyrido[2,3-b]indol-9-yl-4-pyridinyl)phenyl]phenyl]benzonitrile
• SMILES: N#Cc1cccc(-c2ccccc2-c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cccnc43)c2)c1
• InChI: InChI=1S/C47H29N5/c48-30-31-13-11-14-32(27-31)34-15-1-3-17-36(34)37-18-4-2-16-35(37)33-28-45(51-42-23-8-5-19-38(42)39-20-6-9-24-43(39)51)50-46(29-33)52-44-25-10-7-21-40(44)41-22-12-26-49-47(41)52/h1-29H
• InChIKey: KTEWBPFQDRLXNI-UHFFFAOYSA-N
• XLogP: 11.54
• TPSA: 59.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.78
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[2-[2-(2-carbazol-9-yl-6-pyrido[2,3-b]indol-9-yl-4-pyridinyl)phenyl]phenyl]benzonitrile (CID 121312443) is 3-[2-[2-(2-carbazol-9-yl-6-pyrido[2,3-b]indol-9-yl-4-pyridinyl)phenyl]phenyl]benzonitrile.

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

The canonical SMILES for 3-[2-[2-(2-carbazol-9-yl-6-pyrido[2,3-b]indol-9-yl-4-pyridinyl)phenyl]phenyl]benzonitrile is N#Cc1cccc(-c2ccccc2-c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cccnc43)c2)c1.

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

The InChIKey is KTEWBPFQDRLXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c48-30-31-13-11-14-32(27-31)34-15-1-3-17-36(34)37-18-4-2-16-35(37)33-28-45(51-42-23-8-5-19-38(42)39-20-6-9-24-43(39)51)50-46(29-33)52-44-25-10-7-21-40(44)41-22-12-26-49-47(41)52/h1-29H.

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

3-[2-[2-(2-carbazol-9-yl-6-pyrido[2,3-b]indol-9-yl-4-pyridinyl)phenyl]phenyl]benzonitrile has a molecular weight of 663.78 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-(2-carbazol-9-yl-6-pyrido[2,3-b]indol-9-yl-4-pyridinyl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 121312443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).