4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione

C46H26F6N2O2 — CID 134233997

IUPAC4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc43)c2C(=O)N1c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C46H26F6N2O2/c47-45(48,49)32-19-21-34(38(26-32)46(50,51)52)29-18-20-36-35-14-7-8-16-39(35)54(41(36)25-29)40-17-9-15-37-42(40)44(56)53(43(37)55)33-23-30(27-10-3-1-4-11-27)22-31(24-33)28-12-5-2-6-13-28/h1-26H
InChIKeyOUHMLSUSMMTMNV-UHFFFAOYSA-N
MW752.71 g/mol
LogP12.62
Rot. Bonds5

About 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione

4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione (PubChem CID 134233997) has the molecular formula C46H26F6N2O2 and a molecular weight of 752.71 g/mol. Its IUPAC name is 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
PubChem CID134233997
Molecular FormulaC46H26F6N2O2
Molecular Weight752.71 g/mol
Exact Mass752.19
IUPAC Name4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc43)c2C(=O)N1c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C46H26F6N2O2/c47-45(48,49)32-19-21-34(38(26-32)46(50,51)52)29-18-20-36-35-14-7-8-16-39(35)54(41(36)25-29)40-17-9-15-37-42(40)44(56)53(43(37)55)33-23-30(27-10-3-1-4-11-27)22-31(24-33)28-12-5-2-6-13-28/h1-26H
InChIKeyOUHMLSUSMMTMNV-UHFFFAOYSA-N
XLogP12.62
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.71
LogP ≤ 512.62
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-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione (CID 134233997) is 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4ccccc4c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc43)c2C(=O)N1c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
The InChIKey is OUHMLSUSMMTMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26F6N2O2/c47-45(48,49)32-19-21-34(38(26-32)46(50,51)52)29-18-20-36-35-14-7-8-16-39(35)54(41(36)25-29)40-17-9-15-37-42(40)44(56)53(43(37)55)33-23-30(27-10-3-1-4-11-27)22-31(24-33)28-12-5-2-6-13-28/h1-26H.
What are the key properties of 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione has a molecular weight of 752.71 g/mol, XLogP of 12.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134233997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).