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

C39H24N2O3 — CID 134233972

IUPAC4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESO=C(c1ccccc1)c1cccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3ccccc3-c3ccccc3)C4=O)c12
InChIInChI=1S/C39H24N2O3/c42-37(26-15-5-2-6-16-26)31-21-11-19-29-28-18-8-10-23-33(28)40(36(29)31)34-24-12-20-30-35(34)39(44)41(38(30)43)32-22-9-7-17-27(32)25-13-3-1-4-14-25/h1-24H
InChIKeyUCWPCXUVPWUZJV-UHFFFAOYSA-N
MW568.63 g/mol
LogP8.48
Rot. Bonds5

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

4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione (PubChem CID 134233972) has the molecular formula C39H24N2O3 and a molecular weight of 568.63 g/mol. Its IUPAC name is 4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione
PubChem CID134233972
Molecular FormulaC39H24N2O3
Molecular Weight568.63 g/mol
Exact Mass568.18
IUPAC Name4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESO=C(c1ccccc1)c1cccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3ccccc3-c3ccccc3)C4=O)c12
InChIInChI=1S/C39H24N2O3/c42-37(26-15-5-2-6-16-26)31-21-11-19-29-28-18-8-10-23-33(28)40(36(29)31)34-24-12-20-30-35(34)39(44)41(38(30)43)32-22-9-7-17-27(32)25-13-3-1-4-14-25/h1-24H
InChIKeyUCWPCXUVPWUZJV-UHFFFAOYSA-N
XLogP8.48
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.63
LogP ≤ 58.48
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

2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233924
4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
CID 138614829
4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
CID 134234366
4-[1,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234979
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234844
4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 157465983
2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione
CID 134234109
4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234566
4-[1,8-di(pyrimidin-5-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234505
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 147200789
4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 158655472

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione (CID 134233972) is 4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione is O=C(c1ccccc1)c1cccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3ccccc3-c3ccccc3)C4=O)c12.
What is the InChIKey of 4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione?
The InChIKey is UCWPCXUVPWUZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2O3/c42-37(26-15-5-2-6-16-26)31-21-11-19-29-28-18-8-10-23-33(28)40(36(29)31)34-24-12-20-30-35(34)39(44)41(38(30)43)32-22-9-7-17-27(32)25-13-3-1-4-14-25/h1-24H.
What are the key properties of 4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione?
4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione has a molecular weight of 568.63 g/mol, XLogP of 8.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134233972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).