5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile

C46H27N5 — CID 118397694

About 5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile

5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile (PubChem CID 118397694) has the molecular formula C46H27N5 and a molecular weight of 649.76 g/mol. Its IUPAC name is 5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile
• PubChem CID: 118397694
• Molecular Formula: C46H27N5
• Molecular Weight: 649.76 g/mol
• Exact Mass: 649.23
• IUPAC Name: 5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile
• SMILES: N#Cc1cncc(-c2ccc(-c3ccc4c5c6ccccc6c(-c6ccc(-c7cncc(C#N)c7)cc6)cc5n(-c5ccccc5)c4c3)cc2)c1
• InChI: InChI=1S/C46H27N5/c47-24-30-20-37(28-49-26-30)33-12-10-32(11-13-33)36-18-19-42-44(22-36)51(39-6-2-1-3-7-39)45-23-43(40-8-4-5-9-41(40)46(42)45)35-16-14-34(15-17-35)38-21-31(25-48)27-50-29-38/h1-23,26-29H
• InChIKey: NGCMOWOCFNWZSC-UHFFFAOYSA-N
• XLogP: 11.14
• TPSA: 78.29 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.76
LogP ≤ 5	11.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile?

The IUPAC name of 5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile (CID 118397694) is 5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile.

What is the SMILES notation for 5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile?

The canonical SMILES for 5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2ccc(-c3ccc4c5c6ccccc6c(-c6ccc(-c7cncc(C#N)c7)cc6)cc5n(-c5ccccc5)c4c3)cc2)c1.

What is the InChIKey of 5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile?

The InChIKey is NGCMOWOCFNWZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5/c47-24-30-20-37(28-49-26-30)33-12-10-32(11-13-33)36-18-19-42-44(22-36)51(39-6-2-1-3-7-39)45-23-43(40-8-4-5-9-41(40)46(42)45)35-16-14-34(15-17-35)38-21-31(25-48)27-50-29-38/h1-23,26-29H.

What are the key properties of 5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile?

5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile has a molecular weight of 649.76 g/mol, XLogP of 11.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 118397694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).