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

C33H21F3N2O2 — CID 138614945

IUPAC3-hydroxy-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one
SMILESO=C1c2cccc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c2C(O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H21F3N2O2/c34-33(35,36)22-15-18-28-26(19-22)24-9-4-5-11-27(24)38(28)29-12-6-10-25-30(29)32(40)37(31(25)39)23-16-13-21(14-17-23)20-7-2-1-3-8-20/h1-19,32,40H
InChIKeyLEVSOUPZBMMECO-UHFFFAOYSA-N
MW534.54 g/mol
LogP8.12
Rot. Bonds3

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

3-hydroxy-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one (PubChem CID 138614945) has the molecular formula C33H21F3N2O2 and a molecular weight of 534.54 g/mol. Its IUPAC name is 3-hydroxy-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one
PubChem CID138614945
Molecular FormulaC33H21F3N2O2
Molecular Weight534.54 g/mol
Exact Mass534.16
IUPAC Name3-hydroxy-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one
SMILESO=C1c2cccc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c2C(O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H21F3N2O2/c34-33(35,36)22-15-18-28-26(19-22)24-9-4-5-11-27(24)38(28)29-12-6-10-25-30(29)32(40)37(31(25)39)23-16-13-21(14-17-23)20-7-2-1-3-8-20/h1-19,32,40H
InChIKeyLEVSOUPZBMMECO-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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Related Compounds

7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one
CID 166989433
4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
CID 166989746
3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile
CID 166989480
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[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134234638
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134233982
4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234839
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 155462877
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;ethane;(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3-diene;bis(prop-1-ene)
CID 142280722
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 155462551
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234813
3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162610974

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one (CID 138614945) is 3-hydroxy-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one is O=C1c2cccc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c2C(O)N1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-hydroxy-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one?
The InChIKey is LEVSOUPZBMMECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21F3N2O2/c34-33(35,36)22-15-18-28-26(19-22)24-9-4-5-11-27(24)38(28)29-12-6-10-25-30(29)32(40)37(31(25)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-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one?
3-hydroxy-2-(4-phenylphenyl)-4-[3-(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-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one is sourced from PubChem (CID 138614945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).