4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

C48H36N2O2 — CID 142280815

IUPAC4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C(=O)N(c1c(-c3ccccc3)cc(-c3ccccc3)cc1-c1ccccc1)C2=O
InChIInChI=1S/C48H36N2O2/c1-48(2,3)35-26-27-42-40(30-35)36-22-13-14-24-41(36)49(42)43-25-15-23-37-44(43)47(52)50(46(37)51)45-38(32-18-9-5-10-19-32)28-34(31-16-7-4-8-17-31)29-39(45)33-20-11-6-12-21-33/h4-30H,1-3H3
InChIKeyTWYLEKUYWPHFEH-UHFFFAOYSA-N
MW672.83 g/mol
LogP11.88
Rot. Bonds5

About 4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (PubChem CID 142280815) has the molecular formula C48H36N2O2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
PubChem CID142280815
Molecular FormulaC48H36N2O2
Molecular Weight672.83 g/mol
Exact Mass672.28
IUPAC Name4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C(=O)N(c1c(-c3ccccc3)cc(-c3ccccc3)cc1-c1ccccc1)C2=O
InChIInChI=1S/C48H36N2O2/c1-48(2,3)35-26-27-42-40(30-35)36-22-13-14-24-41(36)49(42)43-25-15-23-37-44(43)47(52)50(46(37)51)45-38(32-18-9-5-10-19-32)28-34(31-16-7-4-8-17-31)29-39(45)33-20-11-6-12-21-33/h4-30H,1-3H3
InChIKeyTWYLEKUYWPHFEH-UHFFFAOYSA-N
XLogP11.88
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione with MolForge

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Related Compounds

4-(3-tert-butylcarbazol-9-yl)-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134233934
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134233982
4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234597
4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234848
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234813
4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234482
4-(1,8-ditert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 142280870
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234625
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 158623513
4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134241727
4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 142280758
4-(3,6-ditert-butylcarbazol-9-yl)-2-[3-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 118972370

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (CID 142280815) is 4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C(=O)N(c1c(-c3ccccc3)cc(-c3ccccc3)cc1-c1ccccc1)C2=O.
What is the InChIKey of 4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The InChIKey is TWYLEKUYWPHFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2O2/c1-48(2,3)35-26-27-42-40(30-35)36-22-13-14-24-41(36)49(42)43-25-15-23-37-44(43)47(52)50(46(37)51)45-38(32-18-9-5-10-19-32)28-34(31-16-7-4-8-17-31)29-39(45)33-20-11-6-12-21-33/h4-30H,1-3H3.
What are the key properties of 4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione has a molecular weight of 672.83 g/mol, XLogP of 11.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 142280815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).