4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione

C40H22F6N2O2 — CID 134234844

IUPAC4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4cccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c43)c2C(=O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C40H22F6N2O2/c41-39(42,43)25-20-24(21-26(22-25)40(44,45)46)28-14-8-15-30-29-13-5-7-18-33(29)47(36(28)30)34-19-9-16-31-35(34)38(50)48(37(31)49)32-17-6-4-12-27(32)23-10-2-1-3-11-23/h1-22H
InChIKeyIJMWYUMGYRLUFI-UHFFFAOYSA-N
MW676.62 g/mol
LogP10.96
Rot. Bonds4

About 4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione

4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione (PubChem CID 134234844) has the molecular formula C40H22F6N2O2 and a molecular weight of 676.62 g/mol. Its IUPAC name is 4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
PubChem CID134234844
Molecular FormulaC40H22F6N2O2
Molecular Weight676.62 g/mol
Exact Mass676.16
IUPAC Name4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4cccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c43)c2C(=O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C40H22F6N2O2/c41-39(42,43)25-20-24(21-26(22-25)40(44,45)46)28-14-8-15-30-29-13-5-7-18-33(29)47(36(28)30)34-19-9-16-31-35(34)38(50)48(37(31)49)32-17-6-4-12-27(32)23-10-2-1-3-11-23/h1-22H
InChIKeyIJMWYUMGYRLUFI-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-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 157465983
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234625
2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233924
4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane
CID 142280857
4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 142280758
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234813
4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
CID 134234366
4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134241727
4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234482
4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 158655472
4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
CID 157124041
4-(1,8-dipyridin-4-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2-phenylphenyl)-4-(2-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2-phenylphenyl)-4-(3-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
CID 161343523

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione (CID 134234844) is 4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4ccccc4c4cccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c43)c2C(=O)N1c1ccccc1-c1ccccc1.
What is the InChIKey of 4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The InChIKey is IJMWYUMGYRLUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22F6N2O2/c41-39(42,43)25-20-24(21-26(22-25)40(44,45)46)28-14-8-15-30-29-13-5-7-18-33(29)47(36(28)30)34-19-9-16-31-35(34)38(50)48(37(31)49)32-17-6-4-12-27(32)23-10-2-1-3-11-23/h1-22H.
What are the key properties of 4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-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-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).