4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane

C49H44N6O4RuSi — CID 140663074

IUPAC4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane
SMILESCO[Si](OC)(OC)c1ccc(COc2ccc(/C=C/c3ccnc(-c4cccc(-c5cccc(-c6ccccn6)n5)n4)c3)cc2)cc1.Cc1ccnc(-c2ccccn2)c1.[Ru]
InChIInChI=1S/C38H34N4O4Si.C11H10N2.Ru/c1-43-47(44-2,45-3)32-21-17-30(18-22-32)27-46-31-19-15-28(16-20-31)13-14-29-23-25-40-38(26-29)37-12-7-11-36(42-37)35-10-6-9-34(41-35)33-8-4-5-24-39-33;1-9-5-7-13-11(8-9)10-4-2-3-6-12-10;/h4-26H,27H2,1-3H3;2-8H,1H3;/b14-13+;;
InChIKeyASQIPTSHEAMRAH-QDBORUFSSA-N
MW910.09 g/mol
LogP9.55
Rot. Bonds13

About 4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane

4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane (PubChem CID 140663074) has the molecular formula C49H44N6O4RuSi and a molecular weight of 910.09 g/mol. Its IUPAC name is 4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane.

Molecular Properties

Compound Name4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane
PubChem CID140663074
Molecular FormulaC49H44N6O4RuSi
Molecular Weight910.09 g/mol
Exact Mass910.22
IUPAC Name4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane
SMILESCO[Si](OC)(OC)c1ccc(COc2ccc(/C=C/c3ccnc(-c4cccc(-c5cccc(-c6ccccn6)n5)n4)c3)cc2)cc1.Cc1ccnc(-c2ccccn2)c1.[Ru]
InChIInChI=1S/C38H34N4O4Si.C11H10N2.Ru/c1-43-47(44-2,45-3)32-21-17-30(18-22-32)27-46-31-19-15-28(16-20-31)13-14-29-23-25-40-38(26-29)37-12-7-11-36(42-37)35-10-6-9-34(41-35)33-8-4-5-24-39-33;1-9-5-7-13-11(8-9)10-4-2-3-6-12-10;/h4-26H,27H2,1-3H3;2-8H,1H3;/b14-13+;;
InChIKeyASQIPTSHEAMRAH-QDBORUFSSA-N
XLogP9.55
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.09
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Iron(2+);bis(4-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139165193
9H-anthracen-9-ide;benzene;chloroplatinum(1+);4-(4-methoxyphenyl)-2-phenyl-6-pyridin-2-ylpyridine;2-phenyl-6-pyridin-2-ylpyridine;2-phenyl-6-pyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;tris(platinum(2+));2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 161414984
CID 161891531
CID 161891531
DFe,HHT-tris{(S)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-[4-methoxyphenyl]ethyl)methanimine}diiron(II) tetrachloride
CID 75731949
LFe,HHT-tris{(R)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-[4-methoxyphenyl]ethyl)methanimine}diiron(II) tetrachloride
CID 75731953
Bis[4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine]cadmium(II) bis(hexafluoridophosphate) trihydrate
CID 139077580
Cobalt(2+);bis(4-hexadecoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;bis(tetraphenylboranuide)
CID 139129789
Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine)nickel(ii) bis(hexafluorophosphate) ethanol disolvate monohydrate
CID 139149263
Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine)cobalt(ii) bis(hexafluorophosphate) trihydrate
CID 139149264
Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine) copper(ii) bis(hexafluorophosphate)
CID 139149265
Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine)zinc(ii) bis(hexafluorophosphate) trihydrate
CID 139149266
Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine) cobalt(ii) bis(thiocyanate)
CID 139149267

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane?
The IUPAC name of 4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane (CID 140663074) is 4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane.
What is the SMILES notation for 4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane?
The canonical SMILES for 4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane is CO[Si](OC)(OC)c1ccc(COc2ccc(/C=C/c3ccnc(-c4cccc(-c5cccc(-c6ccccn6)n5)n4)c3)cc2)cc1.Cc1ccnc(-c2ccccn2)c1.[Ru].
What is the InChIKey of 4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane?
The InChIKey is ASQIPTSHEAMRAH-QDBORUFSSA-N. The full InChI is InChI=1S/C38H34N4O4Si.C11H10N2.Ru/c1-43-47(44-2,45-3)32-21-17-30(18-22-32)27-46-31-19-15-28(16-20-31)13-14-29-23-25-40-38(26-29)37-12-7-11-36(42-37)35-10-6-9-34(41-35)33-8-4-5-24-39-33;1-9-5-7-13-11(8-9)10-4-2-3-6-12-10;/h4-26H,27H2,1-3H3;2-8H,1H3;/b14-13+;;.
What are the key properties of 4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane?
4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane has a molecular weight of 910.09 g/mol, XLogP of 9.55, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-2-ylpyridine;ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane is sourced from PubChem (CID 140663074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).