4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione

C33H20N2O3 — CID 138614829

IUPAC4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
SMILESO=C(c1ccccc1)c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C33H20N2O3/c36-31(21-11-3-1-4-12-21)24-16-9-19-27-29(24)23-15-7-8-18-26(23)35(27)28-20-10-17-25-30(28)33(38)34(32(25)37)22-13-5-2-6-14-22/h1-20H
InChIKeyRKRIBHWNGRXTKK-UHFFFAOYSA-N
MW492.53 g/mol
LogP6.82
Rot. Bonds4

About 4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione

4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione (PubChem CID 138614829) has the molecular formula C33H20N2O3 and a molecular weight of 492.53 g/mol. Its IUPAC name is 4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
PubChem CID138614829
Molecular FormulaC33H20N2O3
Molecular Weight492.53 g/mol
Exact Mass492.15
IUPAC Name4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
SMILESO=C(c1ccccc1)c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C33H20N2O3/c36-31(21-11-3-1-4-12-21)24-16-9-19-27-29(24)23-15-7-8-18-26(23)35(27)28-20-10-17-25-30(28)33(38)34(32(25)37)22-13-5-2-6-14-22/h1-20H
InChIKeyRKRIBHWNGRXTKK-UHFFFAOYSA-N
XLogP6.82
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.53
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134233972
4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione
CID 162152400
4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile
CID 148507420
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 147200789
9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile
CID 134243273
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
4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234181
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-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione;4-(3,6-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione;2-phenyl-4-(2-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-phenyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione
CID 158393453
4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione
CID 118972432
4-[4,5-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione
CID 134239969

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione?
The IUPAC name of 4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione (CID 138614829) is 4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione.
What is the SMILES notation for 4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione?
The canonical SMILES for 4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione is O=C(c1ccccc1)c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of 4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione?
The InChIKey is RKRIBHWNGRXTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N2O3/c36-31(21-11-3-1-4-12-21)24-16-9-19-27-29(24)23-15-7-8-18-26(23)35(27)28-20-10-17-25-30(28)33(38)34(32(25)37)22-13-5-2-6-14-22/h1-20H.
What are the key properties of 4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione?
4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione has a molecular weight of 492.53 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 138614829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).