7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one

C46H28F6N2O2 — CID 134234730

IUPAC7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2c(cccc2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)C(O)N1c1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C46H28F6N2O2/c47-45(48,49)31-20-21-32(37(26-31)46(50,51)52)30-19-23-40-36(25-30)33-14-7-8-16-38(33)53(40)41-17-9-15-34-42(41)44(56)54(43(34)55)39-22-18-29(27-10-3-1-4-11-27)24-35(39)28-12-5-2-6-13-28/h1-26,43,55H
InChIKeyRABPIQBWUMYGQY-UHFFFAOYSA-N
MW754.73 g/mol
LogP12.47
Rot. Bonds5

About 7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one

7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one (PubChem CID 134234730) has the molecular formula C46H28F6N2O2 and a molecular weight of 754.73 g/mol. Its IUPAC name is 7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
PubChem CID134234730
Molecular FormulaC46H28F6N2O2
Molecular Weight754.73 g/mol
Exact Mass754.21
IUPAC Name7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2c(cccc2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)C(O)N1c1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C46H28F6N2O2/c47-45(48,49)31-20-21-32(37(26-31)46(50,51)52)30-19-23-40-36(25-30)33-14-7-8-16-38(33)53(40)41-17-9-15-34-42(41)44(56)54(43(34)55)39-22-18-29(27-10-3-1-4-11-27)24-35(39)28-12-5-2-6-13-28/h1-26,43,55H
InChIKeyRABPIQBWUMYGQY-UHFFFAOYSA-N
XLogP12.47
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.73
LogP ≤ 512.47
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-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one
CID 166989433
4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234839
3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155463376
3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234913
6-[9-[2-(2,4-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-2-yl]pyridine-2-carbonitrile
CID 134235115
3-hydroxy-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one
CID 138614945
4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione
CID 159475320
7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 166989754
3-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(4-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138499518
9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]carbazole
CID 147187982
3-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486806

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one (CID 134234730) is 7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one is O=C1c2c(cccc2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)C(O)N1c1ccc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The InChIKey is RABPIQBWUMYGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28F6N2O2/c47-45(48,49)31-20-21-32(37(26-31)46(50,51)52)30-19-23-40-36(25-30)33-14-7-8-16-38(33)53(40)41-17-9-15-34-42(41)44(56)54(43(34)55)39-22-18-29(27-10-3-1-4-11-27)24-35(39)28-12-5-2-6-13-28/h1-26,43,55H.
What are the key properties of 7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one has a molecular weight of 754.73 g/mol, XLogP of 12.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 134234730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).