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

C40H25F3N2O2 — CID 157465983

IUPAC4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESCc1cc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c23)cc(C(F)(F)F)c1
InChIInChI=1S/C40H25F3N2O2/c1-24-21-26(23-27(22-24)40(41,42)43)29-15-9-16-31-30-14-6-8-19-34(30)44(37(29)31)35-20-10-17-32-36(35)39(47)45(38(32)46)33-18-7-5-13-28(33)25-11-3-2-4-12-25/h2-23H,1H3
InChIKeyKGAFEBBDVVXQEN-UHFFFAOYSA-N
MW622.65 g/mol
LogP10.25
Rot. Bonds4

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

4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione (PubChem CID 157465983) has the molecular formula C40H25F3N2O2 and a molecular weight of 622.65 g/mol. Its IUPAC name is 4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
PubChem CID157465983
Molecular FormulaC40H25F3N2O2
Molecular Weight622.65 g/mol
Exact Mass622.19
IUPAC Name4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
SMILESCc1cc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c23)cc(C(F)(F)F)c1
InChIInChI=1S/C40H25F3N2O2/c1-24-21-26(23-27(22-24)40(41,42)43)29-15-9-16-31-30-14-6-8-19-34(30)44(37(29)31)35-20-10-17-32-36(35)39(47)45(38(32)46)33-18-7-5-13-28(33)25-11-3-2-4-12-25/h2-23H,1H3
InChIKeyKGAFEBBDVVXQEN-UHFFFAOYSA-N
XLogP10.25
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.65
LogP ≤ 510.25
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-phenylphenyl)isoindole-1,3-dione
CID 134234844
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234625
4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234482
2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233924
4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane
CID 142280857
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234813
4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 158655472
4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
CID 157124041
4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 142280758
4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
CID 134234366
4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234405
2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione
CID 157300764

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione (CID 157465983) is 4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione is Cc1cc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c23)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
The InChIKey is KGAFEBBDVVXQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25F3N2O2/c1-24-21-26(23-27(22-24)40(41,42)43)29-15-9-16-31-30-14-6-8-19-34(30)44(37(29)31)35-20-10-17-32-36(35)39(47)45(38(32)46)33-18-7-5-13-28(33)25-11-3-2-4-12-25/h2-23H,1H3.
What are the key properties of 4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?
4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione has a molecular weight of 622.65 g/mol, XLogP of 10.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 157465983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).