4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione

C52H39N3O4 — CID 130437644

IUPAC4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione
SMILESCc1cc(C)c(N2C(=O)c3cccc(-c4ccc5c(c4)c4cc(-c6cccc7c6C(=O)N(c6c(C)cc(C)cc6C)C7=O)ccc4n5-c4ccccc4)c3C2=O)c(C)c1
InChIInChI=1S/C52H39N3O4/c1-28-22-30(3)47(31(4)23-28)54-49(56)39-16-10-14-37(45(39)51(54)58)34-18-20-43-41(26-34)42-27-35(19-21-44(42)53(43)36-12-8-7-9-13-36)38-15-11-17-40-46(38)52(59)55(50(40)57)48-32(5)24-29(2)25-33(48)6/h7-27H,1-6H3
InChIKeyFNJNLGBJVBAOMC-UHFFFAOYSA-N
MW769.90 g/mol
LogP11.57
Rot. Bonds5

About 4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione

4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione (PubChem CID 130437644) has the molecular formula C52H39N3O4 and a molecular weight of 769.90 g/mol. Its IUPAC name is 4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione
PubChem CID130437644
Molecular FormulaC52H39N3O4
Molecular Weight769.90 g/mol
Exact Mass769.29
IUPAC Name4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione
SMILESCc1cc(C)c(N2C(=O)c3cccc(-c4ccc5c(c4)c4cc(-c6cccc7c6C(=O)N(c6c(C)cc(C)cc6C)C7=O)ccc4n5-c4ccccc4)c3C2=O)c(C)c1
InChIInChI=1S/C52H39N3O4/c1-28-22-30(3)47(31(4)23-28)54-49(56)39-16-10-14-37(45(39)51(54)58)34-18-20-43-41(26-34)42-27-35(19-21-44(42)53(43)36-12-8-7-9-13-36)38-15-11-17-40-46(38)52(59)55(50(40)57)48-32(5)24-29(2)25-33(48)6/h7-27H,1-6H3
InChIKeyFNJNLGBJVBAOMC-UHFFFAOYSA-N
XLogP11.57
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.90
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234441
4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234174
2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane
CID 142280707
3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole
CID 170283637
3-[2-methyl-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 89460166
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
9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole
CID 71232756
4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234312
4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]-3-methylbenzonitrile
CID 146734854
4-[1,8-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione;4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione;4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 158958228
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241

Frequently Asked Questions

What is the IUPAC name of 4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione (CID 130437644) is 4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione is Cc1cc(C)c(N2C(=O)c3cccc(-c4ccc5c(c4)c4cc(-c6cccc7c6C(=O)N(c6c(C)cc(C)cc6C)C7=O)ccc4n5-c4ccccc4)c3C2=O)c(C)c1.
What is the InChIKey of 4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione?
The InChIKey is FNJNLGBJVBAOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N3O4/c1-28-22-30(3)47(31(4)23-28)54-49(56)39-16-10-14-37(45(39)51(54)58)34-18-20-43-41(26-34)42-27-35(19-21-44(42)53(43)36-12-8-7-9-13-36)38-15-11-17-40-46(38)52(59)55(50(40)57)48-32(5)24-29(2)25-33(48)6/h7-27H,1-6H3.
What are the key properties of 4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione?
4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione has a molecular weight of 769.90 g/mol, XLogP of 11.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindol-4-yl]-9-phenylcarbazol-3-yl]-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 130437644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).