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

C33H19F3N2O2 — CID 134233924

IUPAC2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4cccc(C(F)(F)F)c43)c2C(=O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C33H19F3N2O2/c34-33(35,36)25-16-8-14-23-22-13-5-7-18-27(22)37(30(23)25)28-19-9-15-24-29(28)32(40)38(31(24)39)26-17-6-4-12-21(26)20-10-2-1-3-11-20/h1-19H
InChIKeyJBTKAYAXTMXUKQ-UHFFFAOYSA-N
MW532.52 g/mol
LogP8.27
Rot. Bonds3

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

2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione (PubChem CID 134233924) has the molecular formula C33H19F3N2O2 and a molecular weight of 532.52 g/mol. Its IUPAC name is 2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
PubChem CID134233924
Molecular FormulaC33H19F3N2O2
Molecular Weight532.52 g/mol
Exact Mass532.14
IUPAC Name2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4cccc(C(F)(F)F)c43)c2C(=O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C33H19F3N2O2/c34-33(35,36)25-16-8-14-23-22-13-5-7-18-27(22)37(30(23)25)28-19-9-15-24-29(28)32(40)38(31(24)39)26-17-6-4-12-21(26)20-10-2-1-3-11-20/h1-19H
InChIKeyJBTKAYAXTMXUKQ-UHFFFAOYSA-N
XLogP8.27
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.52
LogP ≤ 58.27
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-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234844
4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 157465983
4-(1-benzoylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134233972
4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
CID 134234366
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234625
2-(2,6-diphenylphenyl)-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione
CID 134234109
4-[1,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234979
4-[1,8-di(pyrimidin-5-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234505
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-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 147200789
4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
The IUPAC name of 2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione (CID 134233924) is 2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione is O=C1c2cccc(-n3c4ccccc4c4cccc(C(F)(F)F)c43)c2C(=O)N1c1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
The InChIKey is JBTKAYAXTMXUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19F3N2O2/c34-33(35,36)25-16-8-14-23-22-13-5-7-18-27(22)37(30(23)25)28-19-9-15-24-29(28)32(40)38(31(24)39)26-17-6-4-12-21(26)20-10-2-1-3-11-20/h1-19H.
What are the key properties of 2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione has a molecular weight of 532.52 g/mol, XLogP of 8.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione is sourced from PubChem (CID 134233924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).