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

C46H26F6N2O2 — CID 134233982

IUPAC4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C46H26F6N2O2/c47-45(48,49)31-19-21-38-36(25-31)37-26-32(46(50,51)52)20-22-39(37)53(38)40-18-10-17-33-41(40)44(56)54(43(33)55)42-34(28-13-6-2-7-14-28)23-30(27-11-4-1-5-12-27)24-35(42)29-15-8-3-9-16-29/h1-26H
InChIKeyHHYXXIVACOVNFC-UHFFFAOYSA-N
MW752.71 g/mol
LogP12.62
Rot. Bonds5

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

4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (PubChem CID 134233982) has the molecular formula C46H26F6N2O2 and a molecular weight of 752.71 g/mol. Its IUPAC name is 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
PubChem CID134233982
Molecular FormulaC46H26F6N2O2
Molecular Weight752.71 g/mol
Exact Mass752.19
IUPAC Name4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C46H26F6N2O2/c47-45(48,49)31-19-21-38-36(25-31)37-26-32(46(50,51)52)20-22-39(37)53(38)40-18-10-17-33-41(40)44(56)54(43(33)55)42-34(28-13-6-2-7-14-28)23-30(27-11-4-1-5-12-27)24-35(42)29-15-8-3-9-16-29/h1-26H
InChIKeyHHYXXIVACOVNFC-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'}

Analyze 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 142280815
4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134241727
4-(3-tert-butylcarbazol-9-yl)-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134233934
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234813
4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234597
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234625
4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 142280758
4-[3,6-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234312
4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234848
4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234482
4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234174
4-(1,8-ditert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 142280870

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (CID 134233982) is 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The InChIKey is HHYXXIVACOVNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26F6N2O2/c47-45(48,49)31-19-21-38-36(25-31)37-26-32(46(50,51)52)20-22-39(37)53(38)40-18-10-17-33-41(40)44(56)54(43(33)55)42-34(28-13-6-2-7-14-28)23-30(27-11-4-1-5-12-27)24-35(42)29-15-8-3-9-16-29/h1-26H.
What are the key properties of 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)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-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134233982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).