5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile

C44H26N6O2 — CID 134241091

About 5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile

5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile (PubChem CID 134241091) has the molecular formula C44H26N6O2 and a molecular weight of 670.73 g/mol. Its IUPAC name is 5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile
• PubChem CID: 134241091
• Molecular Formula: C44H26N6O2
• Molecular Weight: 670.73 g/mol
• Exact Mass: 670.21
• IUPAC Name: 5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile
• SMILES: N#Cc1cncc(-c2cccc3c4cccc(-c5cncc(C#N)c5)c4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5O)c23)c1
• InChI: InChI=1S/C44H26N6O2/c45-21-27-18-31(25-47-23-27)34-12-5-14-36-37-15-6-13-35(32-19-28(22-46)24-48-26-32)42(37)50(41(34)36)39-17-7-16-38-40(39)44(52)49(43(38)51)33-11-4-10-30(20-33)29-8-2-1-3-9-29/h1-20,23-26,43,51H
• InChIKey: RTBJKIWIZBYHFL-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 118.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.73
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile?

The IUPAC name of 5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile (CID 134241091) is 5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile?

The canonical SMILES for 5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc3c4cccc(-c5cncc(C#N)c5)c4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5O)c23)c1.

What is the InChIKey of 5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile?

The InChIKey is RTBJKIWIZBYHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N6O2/c45-21-27-18-31(25-47-23-27)34-12-5-14-36-37-15-6-13-35(32-19-28(22-46)24-48-26-32)42(37)50(41(34)36)39-17-7-16-38-40(39)44(52)49(43(38)51)33-11-4-10-30(20-33)29-8-2-1-3-9-29/h1-20,23-26,43,51H.

What are the key properties of 5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile?

5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile has a molecular weight of 670.73 g/mol, XLogP of 8.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 134241091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).