4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione

C52H36N2O2 — CID 134234291

IUPAC4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
SMILESCc1ccccc1-c1cccc2c3cccc(-c4ccccc4C)c3n(-c3cccc4c3C(=O)N(c3cccc(-c5ccccc5)c3-c3ccccc3)C4=O)c12
InChIInChI=1S/C52H36N2O2/c1-33-17-9-11-23-37(33)40-26-13-28-42-43-29-14-27-41(38-24-12-10-18-34(38)2)50(43)53(49(40)42)46-32-16-30-44-48(46)52(56)54(51(44)55)45-31-15-25-39(35-19-5-3-6-20-35)47(45)36-21-7-4-8-22-36/h3-32H,1-2H3
InChIKeyBEVZAYWKILDTAY-UHFFFAOYSA-N
MW720.87 g/mol
LogP12.87
Rot. Bonds6

About 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione

4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione (PubChem CID 134234291) has the molecular formula C52H36N2O2 and a molecular weight of 720.87 g/mol. Its IUPAC name is 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
PubChem CID134234291
Molecular FormulaC52H36N2O2
Molecular Weight720.87 g/mol
Exact Mass720.28
IUPAC Name4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
SMILESCc1ccccc1-c1cccc2c3cccc(-c4ccccc4C)c3n(-c3cccc4c3C(=O)N(c3cccc(-c5ccccc5)c3-c3ccccc3)C4=O)c12
InChIInChI=1S/C52H36N2O2/c1-33-17-9-11-23-37(33)40-26-13-28-42-43-29-14-27-41(38-24-12-10-18-34(38)2)50(43)53(49(40)42)46-32-16-30-44-48(46)52(56)54(51(44)55)45-31-15-25-39(35-19-5-3-6-20-35)47(45)36-21-7-4-8-22-36/h3-32H,1-2H3
InChIKeyBEVZAYWKILDTAY-UHFFFAOYSA-N
XLogP12.87
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.87
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione (CID 134234291) is 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione is Cc1ccccc1-c1cccc2c3cccc(-c4ccccc4C)c3n(-c3cccc4c3C(=O)N(c3cccc(-c5ccccc5)c3-c3ccccc3)C4=O)c12.
What is the InChIKey of 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione?
The InChIKey is BEVZAYWKILDTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O2/c1-33-17-9-11-23-37(33)40-26-13-28-42-43-29-14-27-41(38-24-12-10-18-34(38)2)50(43)53(49(40)42)46-32-16-30-44-48(46)52(56)54(51(44)55)45-31-15-25-39(35-19-5-3-6-20-35)47(45)36-21-7-4-8-22-36/h3-32H,1-2H3.
What are the key properties of 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione?
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione has a molecular weight of 720.87 g/mol, XLogP of 12.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).