4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

C58H34F6N2O2 — CID 134241727

IUPAC4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4c(-c5ccc(C(F)(F)F)cc5)cccc4c4cccc(-c5ccc(C(F)(F)F)cc5)c43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C58H34F6N2O2/c59-57(60,61)41-29-25-38(26-30-41)43-19-10-21-45-46-22-11-20-44(39-27-31-42(32-28-39)58(62,63)64)53(46)65(52(43)45)50-24-12-23-47-51(50)56(68)66(55(47)67)54-48(36-15-6-2-7-16-36)33-40(35-13-4-1-5-14-35)34-49(54)37-17-8-3-9-18-37/h1-34H
InChIKeyDIYBOUDMHMNJKU-UHFFFAOYSA-N
MW904.91 g/mol
LogP15.96
Rot. Bonds7

About 4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (PubChem CID 134241727) has the molecular formula C58H34F6N2O2 and a molecular weight of 904.91 g/mol. Its IUPAC name is 4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
PubChem CID134241727
Molecular FormulaC58H34F6N2O2
Molecular Weight904.91 g/mol
Exact Mass904.25
IUPAC Name4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4c(-c5ccc(C(F)(F)F)cc5)cccc4c4cccc(-c5ccc(C(F)(F)F)cc5)c43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C58H34F6N2O2/c59-57(60,61)41-29-25-38(26-30-41)43-19-10-21-45-46-22-11-20-44(39-27-31-42(32-28-39)58(62,63)64)53(46)65(52(43)45)50-24-12-23-47-51(50)56(68)66(55(47)67)54-48(36-15-6-2-7-16-36)33-40(35-13-4-1-5-14-35)34-49(54)37-17-8-3-9-18-37/h1-34H
InChIKeyDIYBOUDMHMNJKU-UHFFFAOYSA-N
XLogP15.96
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.91
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234625
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134233982
4-(1,8-ditert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 142280870
3-[8-(3-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
CID 134234537
2-[8-(2-cyanophenyl)-9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
CID 134234940
4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234482
4-[1-(4-isocyanophenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 158897469
4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane
CID 142280857
4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 142280815
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234844
4-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyanophenyl)carbazol-1-yl]benzonitrile
CID 158897470
4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234427

Frequently Asked Questions

What is the IUPAC name of 4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (CID 134241727) is 4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4c(-c5ccc(C(F)(F)F)cc5)cccc4c4cccc(-c5ccc(C(F)(F)F)cc5)c43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The InChIKey is DIYBOUDMHMNJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34F6N2O2/c59-57(60,61)41-29-25-38(26-30-41)43-19-10-21-45-46-22-11-20-44(39-27-31-42(32-28-39)58(62,63)64)53(46)65(52(43)45)50-24-12-23-47-51(50)56(68)66(55(47)67)54-48(36-15-6-2-7-16-36)33-40(35-13-4-1-5-14-35)34-49(54)37-17-8-3-9-18-37/h1-34H.
What are the key properties of 4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione has a molecular weight of 904.91 g/mol, XLogP of 15.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134241727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).