2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione

C39H26N2O2 — CID 159839798

IUPAC2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1-c1ccccc1)C2=O
InChIInChI=1S/C39H26N2O2/c1-25-19-21-35-32(23-25)29-15-8-9-17-33(29)40(35)36-18-10-16-30-37(36)39(43)41(38(30)42)34-22-20-28(26-11-4-2-5-12-26)24-31(34)27-13-6-3-7-14-27/h2-24H,1H3
InChIKeyIQKAHXUFQWWWRD-UHFFFAOYSA-N
MW554.65 g/mol
LogP9.23
Rot. Bonds4

About 2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione

2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione (PubChem CID 159839798) has the molecular formula C39H26N2O2 and a molecular weight of 554.65 g/mol. Its IUPAC name is 2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione
PubChem CID159839798
Molecular FormulaC39H26N2O2
Molecular Weight554.65 g/mol
Exact Mass554.20
IUPAC Name2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1-c1ccccc1)C2=O
InChIInChI=1S/C39H26N2O2/c1-25-19-21-35-32(23-25)29-15-8-9-17-33(29)40(35)36-18-10-16-30-37(36)39(43)41(38(30)42)34-22-20-28(26-11-4-2-5-12-26)24-31(34)27-13-6-3-7-14-27/h2-24H,1H3
InChIKeyIQKAHXUFQWWWRD-UHFFFAOYSA-N
XLogP9.23
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-diphenylphenyl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134235066
4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234149
2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane
CID 142280707
2-(2,4-diphenylphenyl)-4-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134234617
4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234272
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
2-(2,4-diphenylphenyl)-4-[2-(4-isocyanophenyl)carbazol-9-yl]isoindole-1,3-dione
CID 158329082
2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234441
4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241
4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234566
5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 134234299

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione (CID 159839798) is 2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione is Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1-c1ccccc1)C2=O.
What is the InChIKey of 2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione?
The InChIKey is IQKAHXUFQWWWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2O2/c1-25-19-21-35-32(23-25)29-15-8-9-17-33(29)40(35)36-18-10-16-30-37(36)39(43)41(38(30)42)34-22-20-28(26-11-4-2-5-12-26)24-31(34)27-13-6-3-7-14-27/h2-24H,1H3.
What are the key properties of 2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione?
2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione has a molecular weight of 554.65 g/mol, XLogP of 9.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione is sourced from PubChem (CID 159839798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).