4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione

C40H22F6N2O2 — CID 134234839

IUPAC4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc43)c2C(=O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C40H22F6N2O2/c41-39(42,43)26-16-20-28(32(22-26)40(44,45)46)25-15-19-30-29-9-4-5-11-33(29)48(35(30)21-25)34-12-6-10-31-36(34)38(50)47(37(31)49)27-17-13-24(14-18-27)23-7-2-1-3-8-23/h1-22H
InChIKeyLKUOYDYOHIPUHK-UHFFFAOYSA-N
MW676.62 g/mol
LogP10.96
Rot. Bonds4

About 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione

4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione (PubChem CID 134234839) has the molecular formula C40H22F6N2O2 and a molecular weight of 676.62 g/mol. Its IUPAC name is 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
PubChem CID134234839
Molecular FormulaC40H22F6N2O2
Molecular Weight676.62 g/mol
Exact Mass676.16
IUPAC Name4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc43)c2C(=O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C40H22F6N2O2/c41-39(42,43)26-16-20-28(32(22-26)40(44,45)46)25-15-19-30-29-9-4-5-11-33(29)48(35(30)21-25)34-12-6-10-31-36(34)38(50)47(37(31)49)27-17-13-24(14-18-27)23-7-2-1-3-8-23/h1-22H
InChIKeyLKUOYDYOHIPUHK-UHFFFAOYSA-N
XLogP10.96
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.62
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 157418592
4-[4,5-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione
CID 134239969
4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione
CID 134239904
4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234427
4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 142280758
4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241
4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233887
4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234921
2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 118972399
4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134233982

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione (CID 134234839) is 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4ccccc4c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc43)c2C(=O)N1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
The InChIKey is LKUOYDYOHIPUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22F6N2O2/c41-39(42,43)26-16-20-28(32(22-26)40(44,45)46)25-15-19-30-29-9-4-5-11-33(29)48(35(30)21-25)34-12-6-10-31-36(34)38(50)47(37(31)49)27-17-13-24(14-18-27)23-7-2-1-3-8-23/h1-22H.
What are the key properties of 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione has a molecular weight of 676.62 g/mol, XLogP of 10.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).