9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile

C34H18N4O2 — CID 134243273

IUPAC9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile
SMILESN#Cc1cccc2c1c1c(C#N)cccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1)C2=O
InChIInChI=1S/C34H18N4O2/c35-19-23-9-4-12-27-30(23)31-24(20-36)10-5-13-28(31)38(27)29-14-6-11-26-32(29)34(40)37(33(26)39)25-17-15-22(16-18-25)21-7-2-1-3-8-21/h1-18H
InChIKeyLPASGVBIJJXKDL-UHFFFAOYSA-N
MW514.54 g/mol
LogP6.99
Rot. Bonds3

About 9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile

9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile (PubChem CID 134243273) has the molecular formula C34H18N4O2 and a molecular weight of 514.54 g/mol. Its IUPAC name is 9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile
PubChem CID134243273
Molecular FormulaC34H18N4O2
Molecular Weight514.54 g/mol
Exact Mass514.14
IUPAC Name9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile
SMILESN#Cc1cccc2c1c1c(C#N)cccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1)C2=O
InChIInChI=1S/C34H18N4O2/c35-19-23-9-4-12-27-30(23)31-24(20-36)10-5-13-28(31)38(27)29-14-6-11-26-32(29)34(40)37(33(26)39)25-17-15-22(16-18-25)21-7-2-1-3-8-21/h1-18H
InChIKeyLPASGVBIJJXKDL-UHFFFAOYSA-N
XLogP6.99
TPSA89.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.54
LogP ≤ 56.99
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

2-[6-(2-cyanophenyl)-9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234199
5-[7-(3,5-dicyanophenyl)-9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234699
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
9-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile
CID 134239887
6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile
CID 134234685
4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-4-yl]-2-methylbenzonitrile
CID 158627626
4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233887
4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile
CID 148507420
methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione
CID 142280546
4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]-3-methylbenzonitrile
CID 146734854
4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
CID 138614829

Frequently Asked Questions

What is the IUPAC name of 9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile?
The IUPAC name of 9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile (CID 134243273) is 9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile.
What is the SMILES notation for 9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile?
The canonical SMILES for 9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile is N#Cc1cccc2c1c1c(C#N)cccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1)C2=O.
What is the InChIKey of 9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile?
The InChIKey is LPASGVBIJJXKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N4O2/c35-19-23-9-4-12-27-30(23)31-24(20-36)10-5-13-28(31)38(27)29-14-6-11-26-32(29)34(40)37(33(26)39)25-17-15-22(16-18-25)21-7-2-1-3-8-21/h1-18H.
What are the key properties of 9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile?
9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile has a molecular weight of 514.54 g/mol, XLogP of 6.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile is sourced from PubChem (CID 134243273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).