4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile

C34H21N3O2 — CID 148507420

IUPAC4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C34H21N3O2/c1-21-19-22(20-35)17-18-24(21)25-12-7-15-29-31(25)26-11-5-6-14-28(26)37(29)30-16-8-13-27-32(30)34(39)36(33(27)38)23-9-3-2-4-10-23/h2-19H,1H3
InChIKeyMLVKXKBAJAGENN-UHFFFAOYSA-N
MW503.56 g/mol
LogP7.43
Rot. Bonds3

About 4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile

4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile (PubChem CID 148507420) has the molecular formula C34H21N3O2 and a molecular weight of 503.56 g/mol. Its IUPAC name is 4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile
PubChem CID148507420
Molecular FormulaC34H21N3O2
Molecular Weight503.56 g/mol
Exact Mass503.16
IUPAC Name4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C34H21N3O2/c1-21-19-22(20-35)17-18-24(21)25-12-7-15-29-31(25)26-11-5-6-14-28(26)37(29)30-16-8-13-27-32(30)34(39)36(33(27)38)23-9-3-2-4-10-23/h2-19H,1H3
InChIKeyMLVKXKBAJAGENN-UHFFFAOYSA-N
XLogP7.43
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.56
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]-3-methylbenzonitrile
CID 146734854
4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-8-(4-isocyano-2-methylphenyl)carbazol-1-yl]-3-methylbenzonitrile
CID 162173644
4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione
CID 118972459
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
ethane;3-methyl-4-[9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-2-yl]benzonitrile
CID 142280577
4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
CID 138614829
3-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 122418166
9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile
CID 134243273
4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione
CID 162152400
4-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234676
4-(1,3-dioxoisoindol-2-yl)-3-[14-(4-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]benzonitrile
CID 163797951

Frequently Asked Questions

What is the IUPAC name of 4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile?
The IUPAC name of 4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile (CID 148507420) is 4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile?
The canonical SMILES for 4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile is Cc1cc(C#N)ccc1-c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of 4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile?
The InChIKey is MLVKXKBAJAGENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3O2/c1-21-19-22(20-35)17-18-24(21)25-12-7-15-29-31(25)26-11-5-6-14-28(26)37(29)30-16-8-13-27-32(30)34(39)36(33(27)38)23-9-3-2-4-10-23/h2-19H,1H3.
What are the key properties of 4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile?
4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile has a molecular weight of 503.56 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile is sourced from PubChem (CID 148507420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).