4-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione

C34H18F6N2O2 — CID 134233929

IUPAC4-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4c(C(F)(F)F)cccc4c4cccc(C(F)(F)F)c43)c2C(=O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C34H18F6N2O2/c35-33(36,37)24-15-6-12-21-22-13-7-16-25(34(38,39)40)30(22)41(29(21)24)27-18-8-14-23-28(27)32(44)42(31(23)43)26-17-5-4-11-20(26)19-9-2-1-3-10-19/h1-18H
InChIKeyFHFFJNUVNSYZEZ-UHFFFAOYSA-N
MW600.52 g/mol
LogP9.29
Rot. Bonds3

About 4-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione

4-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione (PubChem CID 134233929) has the molecular formula C34H18F6N2O2 and a molecular weight of 600.52 g/mol. Its IUPAC name is 4-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
PubChem CID134233929
Molecular FormulaC34H18F6N2O2
Molecular Weight600.52 g/mol
Exact Mass600.13
IUPAC Name4-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4c(C(F)(F)F)cccc4c4cccc(C(F)(F)F)c43)c2C(=O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C34H18F6N2O2/c35-33(36,37)24-15-6-12-21-22-13-7-16-25(34(38,39)40)30(22)41(29(21)24)27-18-8-14-23-28(27)32(44)42(31(23)43)26-17-5-4-11-20(26)19-9-2-1-3-10-19/h1-18H
InChIKeyFHFFJNUVNSYZEZ-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-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione (CID 134233929) is 4-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4c(C(F)(F)F)cccc4c4cccc(C(F)(F)F)c43)c2C(=O)N1c1ccccc1-c1ccccc1.
What is the InChIKey of 4-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The InChIKey is FHFFJNUVNSYZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18F6N2O2/c35-33(36,37)24-15-6-12-21-22-13-7-16-25(34(38,39)40)30(22)41(29(21)24)27-18-8-14-23-28(27)32(44)42(31(23)43)26-17-5-4-11-20(26)19-9-2-1-3-10-19/h1-18H.
What are the key properties of 4-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
4-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-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-[1,8-bis(trifluoromethyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134233929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).