bis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+)

C28H24F12N4Ti — CID 139104939

IUPACbis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+)
SMILESC[N-]C.C[N-]C.FC(F)(F)c1cc(-c2ccc[n-]2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(-c2ccc[n-]2)cc(C(F)(F)F)c1.[Ti+4]
InChIInChI=1S/2C12H6F6N.2C2H6N.Ti/c2*13-11(14,15)8-4-7(10-2-1-3-19-10)5-9(6-8)12(16,17)18;2*1-3-2;/h2*1-6H;2*1-2H3;/q4*-1;+4
InChIKeyLJRNKQGMDKPKRB-UHFFFAOYSA-N
MW692.37 g/mol
LogP9.93
Rot. Bonds2

About bis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+)

bis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+) (PubChem CID 139104939) has the molecular formula C28H24F12N4Ti and a molecular weight of 692.37 g/mol. Its IUPAC name is bis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+).

Molecular Properties

Compound Namebis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+)
PubChem CID139104939
Molecular FormulaC28H24F12N4Ti
Molecular Weight692.37 g/mol
Exact Mass692.13
IUPAC Namebis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+)
SMILESC[N-]C.C[N-]C.FC(F)(F)c1cc(-c2ccc[n-]2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(-c2ccc[n-]2)cc(C(F)(F)F)c1.[Ti+4]
InChIInChI=1S/2C12H6F6N.2C2H6N.Ti/c2*13-11(14,15)8-4-7(10-2-1-3-19-10)5-9(6-8)12(16,17)18;2*1-3-2;/h2*1-6H;2*1-2H3;/q4*-1;+4
InChIKeyLJRNKQGMDKPKRB-UHFFFAOYSA-N
XLogP9.93
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.37
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+) 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

5-Fluoro-1-(4-fluoro-phenyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 15006441
1-octyl-3-(pyrrolidin-1-ylmethyl)-5-m-tolyl-1H-indole
CID 49783394
1,6-Dimethyl-2-phenyl-4,5-dihydro-3a,5a-diaza-as-indacene
CID 778625
2-(1-(4-(trifluoromethyl)benzyl)-1H-indol-3-yl)-N,N-dimethylethanamine
CID 44438731
1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine
CID 70694340
2-Phenyl-5-[[5-(trifluoromethyl)pyridin-3-yl]methyl]pyridine
CID 73347616
(3R,4S)-1-[(2-fluoro-5-methylphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
CID 137657094
5-Pentyl-2-[4-(tridecafluorohexyl)phenyl]pyridine
CID 3998089
1-Methyl-3-[(1-methylindol-3-yl)methyl]indole
CID 9878666
4-(2,4-Difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 5233210
3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine
CID 71455665
N-ethyl-N-[[1-octyl-5-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]ethanamine
CID 72198377

Frequently Asked Questions

What is the IUPAC name of bis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+)?
The IUPAC name of bis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+) (CID 139104939) is bis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+).
What is the SMILES notation for bis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+)?
The canonical SMILES for bis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+) is C[N-]C.C[N-]C.FC(F)(F)c1cc(-c2ccc[n-]2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(-c2ccc[n-]2)cc(C(F)(F)F)c1.[Ti+4].
What is the InChIKey of bis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+)?
The InChIKey is LJRNKQGMDKPKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H6F6N.2C2H6N.Ti/c2*13-11(14,15)8-4-7(10-2-1-3-19-10)5-9(6-8)12(16,17)18;2*1-3-2;/h2*1-6H;2*1-2H3;/q4*-1;+4.
What are the key properties of bis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+)?
bis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+) has a molecular weight of 692.37 g/mol, XLogP of 9.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-ide);bis(dimethylazanide);titanium(4+) is sourced from PubChem (CID 139104939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).