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

C29H19F3N2O2 — CID 157300764

IUPAC2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(C)C3=O)cc(C(F)(F)F)c1
InChIInChI=1S/C29H19F3N2O2/c1-16-12-18(14-19(13-16)29(30,31)32)17-10-11-24-22(15-17)20-6-3-4-8-23(20)34(24)25-9-5-7-21-26(25)28(36)33(2)27(21)35/h3-15H,1-2H3
InChIKeyJYFKUYFNZYLJIC-UHFFFAOYSA-N
MW484.48 g/mol
LogP7.00
Rot. Bonds2

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

2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione (PubChem CID 157300764) has the molecular formula C29H19F3N2O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione
PubChem CID157300764
Molecular FormulaC29H19F3N2O2
Molecular Weight484.48 g/mol
Exact Mass484.14
IUPAC Name2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(C)C3=O)cc(C(F)(F)F)c1
InChIInChI=1S/C29H19F3N2O2/c1-16-12-18(14-19(13-16)29(30,31)32)17-10-11-24-22(15-17)20-6-3-4-8-23(20)34(24)25-9-5-7-21-26(25)28(36)33(2)27(21)35/h3-15H,1-2H3
InChIKeyJYFKUYFNZYLJIC-UHFFFAOYSA-N
XLogP7.00
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.48
LogP ≤ 57.00
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-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234813
9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 170283628
4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 157465983
4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 142280758
9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 170283564
4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
CID 157124041
ethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione
CID 142280561
9-[2-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 159969988
3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole
CID 170283658
4-(3-cyanophenyl)-3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 162083816
2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione
CID 163732176
3-[3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 161042465

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione?
The IUPAC name of 2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione (CID 157300764) is 2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione?
The canonical SMILES for 2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione is Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(C)C3=O)cc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione?
The InChIKey is JYFKUYFNZYLJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F3N2O2/c1-16-12-18(14-19(13-16)29(30,31)32)17-10-11-24-22(15-17)20-6-3-4-8-23(20)34(24)25-9-5-7-21-26(25)28(36)33(2)27(21)35/h3-15H,1-2H3.
What are the key properties of 2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione?
2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione has a molecular weight of 484.48 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione is sourced from PubChem (CID 157300764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).