7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one

C36H30N2O2 — CID 166989433

IUPAC7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1)C2O
InChIInChI=1S/C36H30N2O2/c1-36(2,3)25-18-21-31-29(22-25)27-12-7-8-14-30(27)38(31)32-15-9-13-28-33(32)35(40)37(34(28)39)26-19-16-24(17-20-26)23-10-5-4-6-11-23/h4-22,34,39H,1-3H3
InChIKeyFKVJCARSKVGIIW-UHFFFAOYSA-N
MW522.65 g/mol
LogP8.40
Rot. Bonds3

About 7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one

7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one (PubChem CID 166989433) has the molecular formula C36H30N2O2 and a molecular weight of 522.65 g/mol. Its IUPAC name is 7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one
PubChem CID166989433
Molecular FormulaC36H30N2O2
Molecular Weight522.65 g/mol
Exact Mass522.23
IUPAC Name7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1)C2O
InChIInChI=1S/C36H30N2O2/c1-36(2,3)25-18-21-31-29(22-25)27-12-7-8-14-30(27)38(31)32-15-9-13-28-33(32)35(40)37(34(28)39)26-19-16-24(17-20-26)23-10-5-4-6-11-23/h4-22,34,39H,1-3H3
InChIKeyFKVJCARSKVGIIW-UHFFFAOYSA-N
XLogP8.40
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134234638
7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
CID 134241213
3-hydroxy-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one
CID 138614945
7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134234730
7-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
CID 134241228
3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234913
4-(3-tert-butylcarbazol-9-yl)-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134233934
4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 142280815
7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 166989740
7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 166989754
2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one
CID 176670415
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594

Frequently Asked Questions

What is the IUPAC name of 7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one?
The IUPAC name of 7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one (CID 166989433) is 7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one.
What is the SMILES notation for 7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one?
The canonical SMILES for 7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1)C2O.
What is the InChIKey of 7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one?
The InChIKey is FKVJCARSKVGIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2O2/c1-36(2,3)25-18-21-31-29(22-25)27-12-7-8-14-30(27)38(31)32-15-9-13-28-33(32)35(40)37(34(28)39)26-19-16-24(17-20-26)23-10-5-4-6-11-23/h4-22,34,39H,1-3H3.
What are the key properties of 7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one?
7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one has a molecular weight of 522.65 g/mol, XLogP of 8.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one is sourced from PubChem (CID 166989433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).