4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+)

C42H30F6N8Ru — CID 153445775

IUPAC4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+)
SMILESC=Cc1ccnc(-c2cc(C=C)cc(-c3cc(C=C)ccn3)n2)c1.Cc1cccc(C)c1-c1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1.[Ru+2]
InChIInChI=1S/C21H13F6N5.C21H17N3.Ru/c1-10-4-3-5-11(2)19(10)12-6-13(15-8-17(31-29-15)20(22,23)24)28-14(7-12)16-9-18(32-30-16)21(25,26)27;1-4-15-7-9-22-18(11-15)20-13-17(6-3)14-21(24-20)19-12-16(5-2)8-10-23-19;/h3-9H,1-2H3;4-14H,1-3H2;/q-2;;+2
InChIKeyGDWBVGLDJVZISO-UHFFFAOYSA-N
MW861.82 g/mol
LogP10.57
Rot. Bonds8

About 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+)

4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+) (PubChem CID 153445775) has the molecular formula C42H30F6N8Ru and a molecular weight of 861.82 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+).

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+)
PubChem CID153445775
Molecular FormulaC42H30F6N8Ru
Molecular Weight861.82 g/mol
Exact Mass862.15
IUPAC Name4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+)
SMILESC=Cc1ccnc(-c2cc(C=C)cc(-c3cc(C=C)ccn3)n2)c1.Cc1cccc(C)c1-c1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1.[Ru+2]
InChIInChI=1S/C21H13F6N5.C21H17N3.Ru/c1-10-4-3-5-11(2)19(10)12-6-13(15-8-17(31-29-15)20(22,23)24)28-14(7-12)16-9-18(32-30-16)21(25,26)27;1-4-15-7-9-22-18(11-15)20-13-17(6-3)14-21(24-20)19-12-16(5-2)8-10-23-19;/h3-9H,1-2H3;4-14H,1-3H2;/q-2;;+2
InChIKeyGDWBVGLDJVZISO-UHFFFAOYSA-N
XLogP10.57
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.82
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 140780300
[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+);4-thianthren-1-yl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;isothiocyanate
CID 153445683
bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775460
N,N-bis(4-tert-butylphenyl)-4-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-3-pyridinyl]aniline;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+);isothiocyanate
CID 153445599
2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 145155974
2-(3-ethenylphenyl)-1,3-dimethylbenzene
CID 123205650
4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+);isothiocyanate
CID 153445630
[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153445641
2-(3H-1-benzothiophen-3-id-2-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 153445668
4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-methoxy-2,6-bis(4-methoxy-2-pyridinyl)pyridine;ruthenium(2+);isothiocyanate
CID 153445741
4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine
CID 140733756
6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline
CID 170249314

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+)?
The IUPAC name of 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+) (CID 153445775) is 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+).
What is the SMILES notation for 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+)?
The canonical SMILES for 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+) is C=Cc1ccnc(-c2cc(C=C)cc(-c3cc(C=C)ccn3)n2)c1.Cc1cccc(C)c1-c1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1.[Ru+2].
What is the InChIKey of 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+)?
The InChIKey is GDWBVGLDJVZISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N5.C21H17N3.Ru/c1-10-4-3-5-11(2)19(10)12-6-13(15-8-17(31-29-15)20(22,23)24)28-14(7-12)16-9-18(32-30-16)21(25,26)27;1-4-15-7-9-22-18(11-15)20-13-17(6-3)14-21(24-20)19-12-16(5-2)8-10-23-19;/h3-9H,1-2H3;4-14H,1-3H2;/q-2;;+2.
What are the key properties of 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+)?
4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+) has a molecular weight of 861.82 g/mol, XLogP of 10.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+) is sourced from PubChem (CID 153445775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).