3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one

C33H21F3N2O2 — CID 134239873

IUPAC3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one
SMILESO=C1c2cccc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c2C(O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H21F3N2O2/c34-33(35,36)22-15-18-25-24-9-4-5-11-27(24)38(29(25)19-22)28-12-6-10-26-30(28)32(40)37(31(26)39)23-16-13-21(14-17-23)20-7-2-1-3-8-20/h1-19,32,40H
InChIKeyFQCNOCPMJHFINV-UHFFFAOYSA-N
MW534.54 g/mol
LogP8.12
Rot. Bonds3

About 3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one

3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one (PubChem CID 134239873) has the molecular formula C33H21F3N2O2 and a molecular weight of 534.54 g/mol. Its IUPAC name is 3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one
PubChem CID134239873
Molecular FormulaC33H21F3N2O2
Molecular Weight534.54 g/mol
Exact Mass534.16
IUPAC Name3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one
SMILESO=C1c2cccc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c2C(O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H21F3N2O2/c34-33(35,36)22-15-18-25-24-9-4-5-11-27(24)38(29(25)19-22)28-12-6-10-26-30(28)32(40)37(31(26)39)23-16-13-21(14-17-23)20-7-2-1-3-8-20/h1-19,32,40H
InChIKeyFQCNOCPMJHFINV-UHFFFAOYSA-N
XLogP8.12
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.54
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one (CID 134239873) is 3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one is O=C1c2cccc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c2C(O)N1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one?
The InChIKey is FQCNOCPMJHFINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21F3N2O2/c34-33(35,36)22-15-18-25-24-9-4-5-11-27(24)38(29(25)19-22)28-12-6-10-26-30(28)32(40)37(31(26)39)23-16-13-21(14-17-23)20-7-2-1-3-8-20/h1-19,32,40H.
What are the key properties of 3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one?
3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one has a molecular weight of 534.54 g/mol, XLogP of 8.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one is sourced from PubChem (CID 134239873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).