4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione

C40H22F6N2O2 — CID 134233945

IUPAC4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2C(=O)N1c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C40H22F6N2O2/c41-39(42,43)25-17-19-29-30-20-18-26(40(44,45)46)22-34(30)47(33(29)21-25)32-16-8-15-31-35(32)38(50)48(37(31)49)36-27(23-9-3-1-4-10-23)13-7-14-28(36)24-11-5-2-6-12-24/h1-22H
InChIKeySGCKFDUIFFRVGX-UHFFFAOYSA-N
MW676.62 g/mol
LogP10.96
Rot. Bonds4

About 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione

4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione (PubChem CID 134233945) has the molecular formula C40H22F6N2O2 and a molecular weight of 676.62 g/mol. Its IUPAC name is 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
PubChem CID134233945
Molecular FormulaC40H22F6N2O2
Molecular Weight676.62 g/mol
Exact Mass676.16
IUPAC Name4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2C(=O)N1c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C40H22F6N2O2/c41-39(42,43)25-17-19-29-30-20-18-26(40(44,45)46)22-34(30)47(33(29)21-25)32-16-8-15-31-35(32)38(50)48(37(31)49)36-27(23-9-3-1-4-10-23)13-7-14-28(36)24-11-5-2-6-12-24/h1-22H
InChIKeySGCKFDUIFFRVGX-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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Frequently Asked Questions

What is the IUPAC name of 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione (CID 134233945) is 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2C(=O)N1c1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione?
The InChIKey is SGCKFDUIFFRVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22F6N2O2/c41-39(42,43)25-17-19-29-30-20-18-26(40(44,45)46)22-34(30)47(33(29)21-25)32-16-8-15-31-35(32)38(50)48(37(31)49)36-27(23-9-3-1-4-10-23)13-7-14-28(36)24-11-5-2-6-12-24/h1-22H.
What are the key properties of 4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione?
4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)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-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134233945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).