8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one

C21H12F3N5O — CID 30466287

IUPAC8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
SMILESO=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H12F3N5O/c22-21(23,24)14-7-4-8-15(11-14)28-10-9-16-17(19(28)30)18(13-5-2-1-3-6-13)29-20(27-16)25-12-26-29/h1-12H
InChIKeyUFSNLTSJOKARPQ-UHFFFAOYSA-N
MW407.36 g/mol
LogP4.11
Rot. Bonds2

About 8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one

8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one (PubChem CID 30466287) has the molecular formula C21H12F3N5O and a molecular weight of 407.36 g/mol. Its IUPAC name is 8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one.

Molecular Properties

Compound Name8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
PubChem CID30466287
Molecular FormulaC21H12F3N5O
Molecular Weight407.36 g/mol
Exact Mass407.10
IUPAC Name8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
SMILESO=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H12F3N5O/c22-21(23,24)14-7-4-8-15(11-14)28-10-9-16-17(19(28)30)18(13-5-2-1-3-6-13)29-20(27-16)25-12-26-29/h1-12H
InChIKeyUFSNLTSJOKARPQ-UHFFFAOYSA-N
XLogP4.11
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
CID 30466268
8-(4-chlorophenyl)-11-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
CID 43864929
3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 18439300
11-[4-chloro-3-(trifluoromethyl)phenyl]-8-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496374
ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 145341902
11-phenyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 25251742
1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole
CID 18957886
1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 151593977
1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one
CID 142666921
3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 176686122
6-iodo-2-methyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 1070659
2-[3-(trifluoromethyl)phenyl]phthalazin-1-one
CID 2380587

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
The IUPAC name of 8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one (CID 30466287) is 8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one.
What is the SMILES notation for 8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
The canonical SMILES for 8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one is O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
The InChIKey is UFSNLTSJOKARPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N5O/c22-21(23,24)14-7-4-8-15(11-14)28-10-9-16-17(19(28)30)18(13-5-2-1-3-6-13)29-20(27-16)25-12-26-29/h1-12H.
What are the key properties of 8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one has a molecular weight of 407.36 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-11-[3-(trifluoromethyl)phenyl]-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one is sourced from PubChem (CID 30466287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).