4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione

C45H30N2O2 — CID 134234149

IUPAC4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c3c2)cc1
InChIInChI=1S/C45H30N2O2/c1-29-19-21-31(22-20-29)34-24-26-37-36-25-23-33(30-11-4-2-5-12-30)27-41(36)46(42(37)28-34)40-18-10-16-38-43(40)45(49)47(44(38)48)39-17-9-8-15-35(39)32-13-6-3-7-14-32/h2-28H,1H3
InChIKeySZERIZZRTWCSOS-UHFFFAOYSA-N
MW630.75 g/mol
LogP10.89
Rot. Bonds5

About 4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione

4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione (PubChem CID 134234149) has the molecular formula C45H30N2O2 and a molecular weight of 630.75 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
PubChem CID134234149
Molecular FormulaC45H30N2O2
Molecular Weight630.75 g/mol
Exact Mass630.23
IUPAC Name4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c3c2)cc1
InChIInChI=1S/C45H30N2O2/c1-29-19-21-31(22-20-29)34-24-26-37-36-25-23-33(30-11-4-2-5-12-30)27-41(36)46(42(37)28-34)40-18-10-16-38-43(40)45(49)47(44(38)48)39-17-9-8-15-35(39)32-13-6-3-7-14-32/h2-28H,1H3
InChIKeySZERIZZRTWCSOS-UHFFFAOYSA-N
XLogP10.89
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 510.89
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

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
2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
4-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 142280807
2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
CID 134241101
4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233887
4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione
CID 134235015
4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234441
3-[7-(3-cyanophenyl)-9-[2-(2,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]benzonitrile
CID 134241214
4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241
4-(1,8-dipyridin-4-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2-phenylphenyl)-4-(2-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2-phenylphenyl)-4-(3-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
CID 161343523
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(2-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(2-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 159890371

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione (CID 134234149) is 4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione is Cc1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c3c2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The InChIKey is SZERIZZRTWCSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O2/c1-29-19-21-31(22-20-29)34-24-26-37-36-25-23-33(30-11-4-2-5-12-30)27-41(36)46(42(37)28-34)40-18-10-16-38-43(40)45(49)47(44(38)48)39-17-9-8-15-35(39)32-13-6-3-7-14-32/h2-28H,1H3.
What are the key properties of 4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione has a molecular weight of 630.75 g/mol, XLogP of 10.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).