2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile

C47H30N4O — CID 176614256

About 2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile

2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile (PubChem CID 176614256) has the molecular formula C47H30N4O and a molecular weight of 666.78 g/mol. Its IUPAC name is 2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile.

Molecular Properties

• Compound Name: 2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile
• PubChem CID: 176614256
• Molecular Formula: C47H30N4O
• Molecular Weight: 666.78 g/mol
• Exact Mass: 666.24
• IUPAC Name: 2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile
• SMILES: N#Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccn4)c3)n2)c1O
• InChI: InChI=1S/C47H30N4O/c48-30-35-16-10-22-41(47(35)52)44-29-36(31-12-3-1-4-13-31)28-43(50-44)34-15-9-14-33(26-34)42-27-32(24-25-49-42)38-20-11-21-40-39-19-7-8-23-45(39)51(46(38)40)37-17-5-2-6-18-37/h1-29,52H
• InChIKey: RKGXMOSNFBRUPA-UHFFFAOYSA-N
• XLogP: 11.49
• TPSA: 74.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.78
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile?

The IUPAC name of 2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile (CID 176614256) is 2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile.

What is the SMILES notation for 2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile?

The canonical SMILES for 2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile is N#Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccn4)c3)n2)c1O.

What is the InChIKey of 2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile?

The InChIKey is RKGXMOSNFBRUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4O/c48-30-35-16-10-22-41(47(35)52)44-29-36(31-12-3-1-4-13-31)28-43(50-44)34-15-9-14-33(26-34)42-27-32(24-25-49-42)38-20-11-21-40-39-19-7-8-23-45(39)51(46(38)40)37-17-5-2-6-18-37/h1-29,52H.

What are the key properties of 2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile?

2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile has a molecular weight of 666.78 g/mol, XLogP of 11.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-3-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 176614256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).