4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+)

C50H31F6N9RuS — CID 140578646

IUPAC4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+)
SMILESFC(F)(F)c1cc(-c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc(-c3cc(C(F)(F)F)n[n-]3)n2)[n-]n1.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C35H20F6N6S.C15H11N3.Ru/c36-34(37,38)32-19-28(43-45-32)26-17-22(18-27(42-26)29-20-33(46-44-29)35(39,40)41)31-16-15-30(48-31)21-11-13-25(14-12-21)47(23-7-3-1-4-8-23)24-9-5-2-6-10-24;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;/h1-20H;1-11H;/q-2;;+2
InChIKeyYJYUCFCEHCCCTO-UHFFFAOYSA-N
MW1004.99 g/mol
LogP13.23
Rot. Bonds9

About 4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+)

4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+) (PubChem CID 140578646) has the molecular formula C50H31F6N9RuS and a molecular weight of 1004.99 g/mol. Its IUPAC name is 4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+).

Molecular Properties

Compound Name4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+)
PubChem CID140578646
Molecular FormulaC50H31F6N9RuS
Molecular Weight1004.99 g/mol
Exact Mass1005.14
IUPAC Name4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+)
SMILESFC(F)(F)c1cc(-c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc(-c3cc(C(F)(F)F)n[n-]3)n2)[n-]n1.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C35H20F6N6S.C15H11N3.Ru/c36-34(37,38)32-19-28(43-45-32)26-17-22(18-27(42-26)29-20-33(46-44-29)35(39,40)41)31-16-15-30(48-31)21-11-13-25(14-12-21)47(23-7-3-1-4-8-23)24-9-5-2-6-10-24;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;/h1-20H;1-11H;/q-2;;+2
InChIKeyYJYUCFCEHCCCTO-UHFFFAOYSA-N
XLogP13.23
TPSA108.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.99
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+) 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

CID 58510484
CID 58510484
2-[2-Methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510488
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729592
2,6-Dipyridin-2-ylpyridine;4-(5-hexylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
CID 140578643
2,6-Dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
CID 140578649
2-[5-(5-Hexylthiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140655771
4-[(E)-2-(3,5-dihexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine;ruthenium(2+);isothiocyanate
CID 140655778
2,6-Dipyridin-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140655787
4-(3,5-Dihexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-6-pyridin-2-ylpyridine;ruthenium(2+);isothiocyanate
CID 140655798
[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140687274
(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140687328
[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140687542

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+)?
The IUPAC name of 4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+) (CID 140578646) is 4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+).
What is the SMILES notation for 4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+)?
The canonical SMILES for 4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+) is FC(F)(F)c1cc(-c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc(-c3cc(C(F)(F)F)n[n-]3)n2)[n-]n1.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+)?
The InChIKey is YJYUCFCEHCCCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20F6N6S.C15H11N3.Ru/c36-34(37,38)32-19-28(43-45-32)26-17-22(18-27(42-26)29-20-33(46-44-29)35(39,40)41)31-16-15-30(48-31)21-11-13-25(14-12-21)47(23-7-3-1-4-8-23)24-9-5-2-6-10-24;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;/h1-20H;1-11H;/q-2;;+2.
What are the key properties of 4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+)?
4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+) has a molecular weight of 1004.99 g/mol, XLogP of 13.23, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-yl]-N,N-diphenylaniline;2,6-dipyridin-2-ylpyridine;ruthenium(2+) is sourced from PubChem (CID 140578646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).