2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile

C58H34N4O2 — CID 134234940

IUPAC2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc2c3cccc(-c4ccccc4C#N)c3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cc(-c5ccccc5)cc3-c3ccccc3)C4=O)c12
InChIInChI=1S/C58H34N4O2/c59-35-40-23-10-12-25-43(40)45-27-14-29-47-48-30-15-28-46(44-26-13-11-24-41(44)36-60)55(48)61(54(45)47)52-32-16-31-49-53(52)58(64)62(57(49)63)56-50(38-19-6-2-7-20-38)33-42(37-17-4-1-5-18-37)34-51(56)39-21-8-3-9-22-39/h1-34H
InChIKeyGYTMNKCZTWXDOC-UHFFFAOYSA-N
MW818.94 g/mol
LogP13.66
Rot. Bonds7

About 2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile

2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile (PubChem CID 134234940) has the molecular formula C58H34N4O2 and a molecular weight of 818.94 g/mol. Its IUPAC name is 2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
PubChem CID134234940
Molecular FormulaC58H34N4O2
Molecular Weight818.94 g/mol
Exact Mass818.27
IUPAC Name2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc2c3cccc(-c4ccccc4C#N)c3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cc(-c5ccccc5)cc3-c3ccccc3)C4=O)c12
InChIInChI=1S/C58H34N4O2/c59-35-40-23-10-12-25-43(40)45-27-14-29-47-48-30-15-28-46(44-26-13-11-24-41(44)36-60)55(48)61(54(45)47)52-32-16-31-49-53(52)58(64)62(57(49)63)56-50(38-19-6-2-7-20-38)33-42(37-17-4-1-5-18-37)34-51(56)39-21-8-3-9-22-39/h1-34H
InChIKeyGYTMNKCZTWXDOC-UHFFFAOYSA-N
XLogP13.66
TPSA89.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.94
LogP ≤ 513.66
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

3-[8-(3-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
CID 134234537
2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
CID 166776610
4-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyanophenyl)carbazol-1-yl]benzonitrile
CID 158897470
4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134241727
4-(1,8-ditert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 142280870
4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234482
4-[8-(4-cyanophenyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile;ethane
CID 142280762
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234625
4-[1-(4-isocyanophenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 158897469
3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 158618476
2-(2,6-diphenylphenyl)-4-[1,8-di(pyrimidin-5-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134241105
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 2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile?
The IUPAC name of 2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile (CID 134234940) is 2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile.
What is the SMILES notation for 2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile?
The canonical SMILES for 2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile is N#Cc1ccccc1-c1cccc2c3cccc(-c4ccccc4C#N)c3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cc(-c5ccccc5)cc3-c3ccccc3)C4=O)c12.
What is the InChIKey of 2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile?
The InChIKey is GYTMNKCZTWXDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4O2/c59-35-40-23-10-12-25-43(40)45-27-14-29-47-48-30-15-28-46(44-26-13-11-24-41(44)36-60)55(48)61(54(45)47)52-32-16-31-49-53(52)58(64)62(57(49)63)56-50(38-19-6-2-7-20-38)33-42(37-17-4-1-5-18-37)34-51(56)39-21-8-3-9-22-39/h1-34H.
What are the key properties of 2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile?
2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile has a molecular weight of 818.94 g/mol, XLogP of 13.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile is sourced from PubChem (CID 134234940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).