4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione

C54H28F12N2O2 — CID 134233999

IUPAC4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc4c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc43)c2C(=O)N1c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C54H28F12N2O2/c55-51(56,57)35-16-20-38(43(27-35)53(61,62)63)31-14-18-40-41-19-15-32(39-21-17-36(52(58,59)60)28-44(39)54(64,65)66)26-47(41)68(46(40)25-31)45-13-7-12-42-48(45)50(70)67(49(42)69)37-23-33(29-8-3-1-4-9-29)22-34(24-37)30-10-5-2-6-11-30/h1-28H
InChIKeyNQIWZMQRHKNVDO-UHFFFAOYSA-N
MW964.81 g/mol
LogP16.33
Rot. Bonds6

About 4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione

4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione (PubChem CID 134233999) has the molecular formula C54H28F12N2O2 and a molecular weight of 964.81 g/mol. Its IUPAC name is 4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
PubChem CID134233999
Molecular FormulaC54H28F12N2O2
Molecular Weight964.81 g/mol
Exact Mass964.20
IUPAC Name4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc4c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc43)c2C(=O)N1c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C54H28F12N2O2/c55-51(56,57)35-16-20-38(43(27-35)53(61,62)63)31-14-18-40-41-19-15-32(39-21-17-36(52(58,59)60)28-44(39)54(64,65)66)26-47(41)68(46(40)25-31)45-13-7-12-42-48(45)50(70)67(49(42)69)37-23-33(29-8-3-1-4-9-29)22-34(24-37)30-10-5-2-6-11-30/h1-28H
InChIKeyNQIWZMQRHKNVDO-UHFFFAOYSA-N
XLogP16.33
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.81
LogP ≤ 516.33
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[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione (CID 134233999) is 4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc4c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc43)c2C(=O)N1c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
The InChIKey is NQIWZMQRHKNVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H28F12N2O2/c55-51(56,57)35-16-20-38(43(27-35)53(61,62)63)31-14-18-40-41-19-15-32(39-21-17-36(52(58,59)60)28-44(39)54(64,65)66)26-47(41)68(46(40)25-31)45-13-7-12-42-48(45)50(70)67(49(42)69)37-23-33(29-8-3-1-4-9-29)22-34(24-37)30-10-5-2-6-11-30/h1-28H.
What are the key properties of 4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione has a molecular weight of 964.81 g/mol, XLogP of 16.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134233999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).