4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione

C39H26N2O2 — CID 134234241

IUPAC4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
SMILESCc1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c3c2)c1
InChIInChI=1S/C39H26N2O2/c1-25-10-7-13-27(22-25)29-20-21-32-31-16-5-6-18-34(31)41(36(32)24-29)35-19-9-17-33-37(35)39(43)40(38(33)42)30-15-8-14-28(23-30)26-11-3-2-4-12-26/h2-24H,1H3
InChIKeyKAHZAWHWJWEFCH-UHFFFAOYSA-N
MW554.65 g/mol
LogP9.23
Rot. Bonds4

About 4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione

4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione (PubChem CID 134234241) has the molecular formula C39H26N2O2 and a molecular weight of 554.65 g/mol. Its IUPAC name is 4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
PubChem CID134234241
Molecular FormulaC39H26N2O2
Molecular Weight554.65 g/mol
Exact Mass554.20
IUPAC Name4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
SMILESCc1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c3c2)c1
InChIInChI=1S/C39H26N2O2/c1-25-10-7-13-27(22-25)29-20-21-32-31-16-5-6-18-34(31)41(36(32)24-29)35-19-9-17-33-37(35)39(43)40(38(33)42)30-15-8-14-28(23-30)26-11-3-2-4-12-26/h2-24H,1H3
InChIKeyKAHZAWHWJWEFCH-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-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233887
4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 157418592
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 147200789
4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234149
4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234085
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-(3-methylcarbazol-9-yl)isoindole-1,3-dione
CID 159839798
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-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234848
4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234921

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione (CID 134234241) is 4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione is Cc1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c3c2)c1.
What is the InChIKey of 4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
The InChIKey is KAHZAWHWJWEFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2O2/c1-25-10-7-13-27(22-25)29-20-21-32-31-16-5-6-18-34(31)41(36(32)24-29)35-19-9-17-33-37(35)39(43)40(38(33)42)30-15-8-14-28(23-30)26-11-3-2-4-12-26/h2-24H,1H3.
What are the key properties of 4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)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 4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).