6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile

C44H28N4O2 — CID 134235115

IUPAC6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5O)c3c2)n1
InChIInChI=1S/C44H28N4O2/c45-27-32-15-9-18-37(46-32)31-21-23-34-33-16-7-8-19-38(33)47(41(34)26-31)40-20-10-17-35-42(40)44(50)48(43(35)49)39-24-22-30(28-11-3-1-4-12-28)25-36(39)29-13-5-2-6-14-29/h1-26,43,49H
InChIKeyFNBPWVGGXYEKBG-UHFFFAOYSA-N
MW644.73 g/mol
LogP9.70
Rot. Bonds5

About 6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile

6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile (PubChem CID 134235115) has the molecular formula C44H28N4O2 and a molecular weight of 644.73 g/mol. Its IUPAC name is 6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile
PubChem CID134235115
Molecular FormulaC44H28N4O2
Molecular Weight644.73 g/mol
Exact Mass644.22
IUPAC Name6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5O)c3c2)n1
InChIInChI=1S/C44H28N4O2/c45-27-32-15-9-18-37(46-32)31-21-23-34-33-16-7-8-19-38(33)47(41(34)26-31)40-20-10-17-35-42(40)44(50)48(43(35)49)39-24-22-30(28-11-3-1-4-12-28)25-36(39)29-13-5-2-6-14-29/h1-26,43,49H
InChIKeyFNBPWVGGXYEKBG-UHFFFAOYSA-N
XLogP9.70
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.73
LogP ≤ 59.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile with MolForge

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Related Compounds

3-[7-(3-cyanophenyl)-9-[1-hydroxy-3-oxo-2-(2,4,6-triphenylphenyl)-1H-isoindol-4-yl]carbazol-2-yl]benzonitrile
CID 166989456
4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234671
3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234913
6-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile
CID 134235079
6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile
CID 134234685
7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134234730
7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 166989754
7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 166989740
4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216774
7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one
CID 166989433
3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile
CID 166989480
7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
CID 134241213

Frequently Asked Questions

What is the IUPAC name of 6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile (CID 134235115) is 6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile is N#Cc1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5O)c3c2)n1.
What is the InChIKey of 6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile?
The InChIKey is FNBPWVGGXYEKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O2/c45-27-32-15-9-18-37(46-32)31-21-23-34-33-16-7-8-19-38(33)47(41(34)26-31)40-20-10-17-35-42(40)44(50)48(43(35)49)39-24-22-30(28-11-3-1-4-12-28)25-36(39)29-13-5-2-6-14-29/h1-26,43,49H.
What are the key properties of 6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile?
6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile has a molecular weight of 644.73 g/mol, XLogP of 9.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 134235115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).