3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile

C39H25N3O2 — CID 166989480

IUPAC3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(O)N(c4cccc(-c6ccccc6)c4)C5=O)c3c2)c1
InChIInChI=1S/C39H25N3O2/c40-24-25-9-6-12-27(21-25)29-19-20-32-31-15-4-5-17-34(31)42(36(32)23-29)35-18-8-16-33-37(35)39(44)41(38(33)43)30-14-7-13-28(22-30)26-10-2-1-3-11-26/h1-23,39,44H
InChIKeyHMOUWDBQAGJWHP-UHFFFAOYSA-N
MW567.65 g/mol
LogP8.64
Rot. Bonds4

About 3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile

3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile (PubChem CID 166989480) has the molecular formula C39H25N3O2 and a molecular weight of 567.65 g/mol. Its IUPAC name is 3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile
PubChem CID166989480
Molecular FormulaC39H25N3O2
Molecular Weight567.65 g/mol
Exact Mass567.19
IUPAC Name3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(O)N(c4cccc(-c6ccccc6)c4)C5=O)c3c2)c1
InChIInChI=1S/C39H25N3O2/c40-24-25-9-6-12-27(21-25)29-19-20-32-31-15-4-5-17-34(31)42(36(32)23-29)35-18-8-16-33-37(35)39(44)41(38(33)43)30-14-7-13-28(22-30)26-10-2-1-3-11-26/h1-23,39,44H
InChIKeyHMOUWDBQAGJWHP-UHFFFAOYSA-N
XLogP8.64
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.65
LogP ≤ 58.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
CID 166989746
3-[7-(3-cyanophenyl)-9-[1-hydroxy-3-oxo-2-(2,4,6-triphenylphenyl)-1H-isoindol-4-yl]carbazol-2-yl]benzonitrile
CID 166989456
3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234913
3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145055650
4-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234671
5-[7-(3,5-dicyanophenyl)-9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234699
3-[7-(3-cyanophenyl)-9-[2-(2,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]benzonitrile
CID 134241214
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155079719
5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134240962
5-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234517
9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
CID 155080823
3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile
CID 139319666

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile?
The IUPAC name of 3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile (CID 166989480) is 3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile?
The canonical SMILES for 3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile is N#Cc1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(O)N(c4cccc(-c6ccccc6)c4)C5=O)c3c2)c1.
What is the InChIKey of 3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile?
The InChIKey is HMOUWDBQAGJWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O2/c40-24-25-9-6-12-27(21-25)29-19-20-32-31-15-4-5-17-34(31)42(36(32)23-29)35-18-8-16-33-37(35)39(44)41(38(33)43)30-14-7-13-28(22-30)26-10-2-1-3-11-26/h1-23,39,44H.
What are the key properties of 3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile?
3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile has a molecular weight of 567.65 g/mol, XLogP of 8.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile is sourced from PubChem (CID 166989480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).