4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile

C52H30N4O2 — CID 134234272

IUPAC4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cccc3c2C(=O)N(c2ccc(-c4ccccc4)cc2-c2ccccc2)C3=O)cc1
InChIInChI=1S/C52H30N4O2/c53-31-33-14-18-36(19-15-33)40-23-26-47-44(29-40)45-30-41(37-20-16-34(32-54)17-21-37)24-27-48(45)55(47)49-13-7-12-42-50(49)52(58)56(51(42)57)46-25-22-39(35-8-3-1-4-9-35)28-43(46)38-10-5-2-6-11-38/h1-30H
InChIKeyOICBPVQUPMMUCK-UHFFFAOYSA-N
MW742.84 g/mol
LogP12.00
Rot. Bonds6

About 4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile

4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile (PubChem CID 134234272) has the molecular formula C52H30N4O2 and a molecular weight of 742.84 g/mol. Its IUPAC name is 4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile
PubChem CID134234272
Molecular FormulaC52H30N4O2
Molecular Weight742.84 g/mol
Exact Mass742.24
IUPAC Name4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cccc3c2C(=O)N(c2ccc(-c4ccccc4)cc2-c2ccccc2)C3=O)cc1
InChIInChI=1S/C52H30N4O2/c53-31-33-14-18-36(19-15-33)40-23-26-47-44(29-40)45-30-41(37-20-16-34(32-54)17-21-37)24-27-48(45)55(47)49-13-7-12-42-50(49)52(58)56(51(42)57)46-25-22-39(35-8-3-1-4-9-35)28-43(46)38-10-5-2-6-11-38/h1-30H
InChIKeyOICBPVQUPMMUCK-UHFFFAOYSA-N
XLogP12.00
TPSA89.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.84
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 134234299
2-(2,4-diphenylphenyl)-4-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134234617
acetonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile
CID 142280776
2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione
CID 159839798
5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile
CID 134235000
2-(2,4-diphenylphenyl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134235066
4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
CID 134234366
4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 118972399
5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134240962
3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-6-(4-isocyano-3-pyridinyl)carbazol-3-yl]pyridine-4-carbonitrile
CID 159001392
3-[7-(3-cyanophenyl)-9-[2-(2,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]benzonitrile
CID 134241214
5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile
CID 134241118

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile?
The IUPAC name of 4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile (CID 134234272) is 4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile?
The canonical SMILES for 4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile is N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cccc3c2C(=O)N(c2ccc(-c4ccccc4)cc2-c2ccccc2)C3=O)cc1.
What is the InChIKey of 4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile?
The InChIKey is OICBPVQUPMMUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O2/c53-31-33-14-18-36(19-15-33)40-23-26-47-44(29-40)45-30-41(37-20-16-34(32-54)17-21-37)24-27-48(45)55(47)49-13-7-12-42-50(49)52(58)56(51(42)57)46-25-22-39(35-8-3-1-4-9-35)28-43(46)38-10-5-2-6-11-38/h1-30H.
What are the key properties of 4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile?
4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile has a molecular weight of 742.84 g/mol, XLogP of 12.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile is sourced from PubChem (CID 134234272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).