4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione

C34H18F6N2O2 — CID 134233871

IUPAC4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2C(=O)N1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C34H18F6N2O2/c35-33(36,37)21-12-14-24-25-15-13-22(34(38,39)40)18-29(25)42(28(24)17-21)27-11-5-10-26-30(27)32(44)41(31(26)43)23-9-4-8-20(16-23)19-6-2-1-3-7-19/h1-18H
InChIKeyWHCUNDTVOOEAFN-UHFFFAOYSA-N
MW600.52 g/mol
LogP9.29
Rot. Bonds3

About 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione

4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione (PubChem CID 134233871) has the molecular formula C34H18F6N2O2 and a molecular weight of 600.52 g/mol. Its IUPAC name is 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
PubChem CID134233871
Molecular FormulaC34H18F6N2O2
Molecular Weight600.52 g/mol
Exact Mass600.13
IUPAC Name4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2C(=O)N1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C34H18F6N2O2/c35-33(36,37)21-12-14-24-25-15-13-22(34(38,39)40)18-29(25)42(28(24)17-21)27-11-5-10-26-30(27)32(44)41(31(26)43)23-9-4-8-20(16-23)19-6-2-1-3-7-19/h1-18H
InChIKeyWHCUNDTVOOEAFN-UHFFFAOYSA-N
XLogP9.29
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.52
LogP ≤ 59.29
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 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione (CID 134233871) is 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2C(=O)N1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
The InChIKey is WHCUNDTVOOEAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18F6N2O2/c35-33(36,37)21-12-14-24-25-15-13-22(34(38,39)40)18-29(25)42(28(24)17-21)27-11-5-10-26-30(27)32(44)41(31(26)43)23-9-4-8-20(16-23)19-6-2-1-3-7-19/h1-18H.
What are the key properties of 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione has a molecular weight of 600.52 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134233871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).