4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one

C60H34F12N2O2 — CID 134241764

IUPAC4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one
SMILESO=C1c2cccc(-n3c4c(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cccc4c4cccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)c43)c2C(O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C60H34F12N2O2/c61-57(62,63)37-25-27-39(48(31-37)59(67,68)69)41-19-10-21-43-44-22-11-20-42(40-28-26-38(58(64,65)66)32-49(40)60(70,71)72)53(44)73(52(41)43)50-24-12-23-45-51(50)56(76)74(55(45)75)54-46(34-15-6-2-7-16-34)29-36(33-13-4-1-5-14-33)30-47(54)35-17-8-3-9-18-35/h1-32,56,76H
InChIKeyCVDOHFKYNUSRPF-UHFFFAOYSA-N
MW1042.92 g/mol
LogP17.85
Rot. Bonds7

About 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one

4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one (PubChem CID 134241764) has the molecular formula C60H34F12N2O2 and a molecular weight of 1042.92 g/mol. Its IUPAC name is 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one
PubChem CID134241764
Molecular FormulaC60H34F12N2O2
Molecular Weight1042.92 g/mol
Exact Mass1042.24
IUPAC Name4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one
SMILESO=C1c2cccc(-n3c4c(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cccc4c4cccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)c43)c2C(O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C60H34F12N2O2/c61-57(62,63)37-25-27-39(48(31-37)59(67,68)69)41-19-10-21-43-44-22-11-20-42(40-28-26-38(58(64,65)66)32-49(40)60(70,71)72)53(44)73(52(41)43)50-24-12-23-45-51(50)56(76)74(55(45)75)54-46(34-15-6-2-7-16-34)29-36(33-13-4-1-5-14-33)30-47(54)35-17-8-3-9-18-35/h1-32,56,76H
InChIKeyCVDOHFKYNUSRPF-UHFFFAOYSA-N
XLogP17.85
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001042.92
LogP ≤ 517.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one?
The IUPAC name of 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one (CID 134241764) is 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one.
What is the SMILES notation for 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one?
The canonical SMILES for 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one is O=C1c2cccc(-n3c4c(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cccc4c4cccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)c43)c2C(O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one?
The InChIKey is CVDOHFKYNUSRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34F12N2O2/c61-57(62,63)37-25-27-39(48(31-37)59(67,68)69)41-19-10-21-43-44-22-11-20-42(40-28-26-38(58(64,65)66)32-49(40)60(70,71)72)53(44)73(52(41)43)50-24-12-23-45-51(50)56(76)74(55(45)75)54-46(34-15-6-2-7-16-34)29-36(33-13-4-1-5-14-33)30-47(54)35-17-8-3-9-18-35/h1-32,56,76H.
What are the key properties of 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one?
4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one has a molecular weight of 1042.92 g/mol, XLogP of 17.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-hydroxy-2-(2,4,6-triphenylphenyl)-3H-isoindol-1-one is sourced from PubChem (CID 134241764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).