7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one

C54H30F12N2O2 — CID 134234638

IUPAC7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2c(cccc2-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)C(O)N1c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C54H30F12N2O2/c55-51(56,57)37-19-35(20-38(27-37)52(58,59)60)31-14-16-45-43(25-31)44-26-32(36-21-39(53(61,62)63)28-40(22-36)54(64,65)66)15-17-46(44)68(45)47-13-7-12-42-48(47)50(70)67(49(42)69)41-23-33(29-8-3-1-4-9-29)18-34(24-41)30-10-5-2-6-11-30/h1-28,49,69H
InChIKeyFHEGNWDCEMOXMR-UHFFFAOYSA-N
MW966.82 g/mol
LogP16.18
Rot. Bonds6

About 7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one

7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one (PubChem CID 134234638) has the molecular formula C54H30F12N2O2 and a molecular weight of 966.82 g/mol. Its IUPAC name is 7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
PubChem CID134234638
Molecular FormulaC54H30F12N2O2
Molecular Weight966.82 g/mol
Exact Mass966.21
IUPAC Name7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2c(cccc2-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)C(O)N1c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C54H30F12N2O2/c55-51(56,57)37-19-35(20-38(27-37)52(58,59)60)31-14-16-45-43(25-31)44-26-32(36-21-39(53(61,62)63)28-40(22-36)54(64,65)66)15-17-46(44)68(45)47-13-7-12-42-48(47)50(70)67(49(42)69)41-23-33(29-8-3-1-4-9-29)18-34(24-41)30-10-5-2-6-11-30/h1-28,49,69H
InChIKeyFHEGNWDCEMOXMR-UHFFFAOYSA-N
XLogP16.18
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.82
LogP ≤ 516.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
CID 134241213
7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one
CID 166989433
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
7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134234730
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234813
9-[2-[3-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 166899924
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922
3-hydroxy-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one
CID 138614945
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
2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3,6-diphenylcarbazol-9-yl)phenyl]-3-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 138499680
3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234913
4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 142280758

Frequently Asked Questions

What is the IUPAC name of 7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one (CID 134234638) is 7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one is O=C1c2c(cccc2-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)C(O)N1c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The InChIKey is FHEGNWDCEMOXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30F12N2O2/c55-51(56,57)37-19-35(20-38(27-37)52(58,59)60)31-14-16-45-43(25-31)44-26-32(36-21-39(53(61,62)63)28-40(22-36)54(64,65)66)15-17-46(44)68(45)47-13-7-12-42-48(47)50(70)67(49(42)69)41-23-33(29-8-3-1-4-9-29)18-34(24-41)30-10-5-2-6-11-30/h1-28,49,69H.
What are the key properties of 7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one has a molecular weight of 966.82 g/mol, XLogP of 16.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 134234638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).