2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione

C39H23F3N2O2 — CID 134233946

IUPAC2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c2C(=O)N1c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C39H23F3N2O2/c40-39(41,42)26-21-22-30-29-15-7-8-19-32(29)43(34(30)23-26)33-20-10-18-31-35(33)38(46)44(37(31)45)36-27(24-11-3-1-4-12-24)16-9-17-28(36)25-13-5-2-6-14-25/h1-23H
InChIKeyIJWVOMZJIUCCSW-UHFFFAOYSA-N
MW608.62 g/mol
LogP9.94
Rot. Bonds4

About 2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione

2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione (PubChem CID 134233946) has the molecular formula C39H23F3N2O2 and a molecular weight of 608.62 g/mol. Its IUPAC name is 2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
PubChem CID134233946
Molecular FormulaC39H23F3N2O2
Molecular Weight608.62 g/mol
Exact Mass608.17
IUPAC Name2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c2C(=O)N1c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C39H23F3N2O2/c40-39(41,42)26-21-22-30-29-15-7-8-19-32(29)43(34(30)23-26)33-20-10-18-31-35(33)38(46)44(37(31)45)36-27(24-11-3-1-4-12-24)16-9-17-28(36)25-13-5-2-6-14-25/h1-23H
InChIKeyIJWVOMZJIUCCSW-UHFFFAOYSA-N
XLogP9.94
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.62
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione (CID 134233946) is 2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione is O=C1c2cccc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c2C(=O)N1c1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
The InChIKey is IJWVOMZJIUCCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23F3N2O2/c40-39(41,42)26-21-22-30-29-15-7-8-19-32(29)43(34(30)23-26)33-20-10-18-31-35(33)38(46)44(37(31)45)36-27(24-11-3-1-4-12-24)16-9-17-28(36)25-13-5-2-6-14-25/h1-23H.
What are the key properties of 2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione has a molecular weight of 608.62 g/mol, XLogP of 9.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diphenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione is sourced from PubChem (CID 134233946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).