tetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium

C48H38N12Ru2 — CID 22982382

IUPACtetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium
SMILES[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/4C10H8N2.C8H6N4.2Ru/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-7(10-4-1)8-11-5-2-6-12-8;;/h4*1-8H;1-6H;;
InChIKeyRYSMSINUTWSSJI-UHFFFAOYSA-N
MW985.06 g/mol
LogP9.50
Rot. Bonds5

About tetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium

tetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium (PubChem CID 22982382) has the molecular formula C48H38N12Ru2 and a molecular weight of 985.06 g/mol. Its IUPAC name is tetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium.

Molecular Properties

Compound Nametetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium
PubChem CID22982382
Molecular FormulaC48H38N12Ru2
Molecular Weight985.06 g/mol
Exact Mass986.14
IUPAC Nametetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium
SMILES[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/4C10H8N2.C8H6N4.2Ru/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-7(10-4-1)8-11-5-2-6-12-8;;/h4*1-8H;1-6H;;
InChIKeyRYSMSINUTWSSJI-UHFFFAOYSA-N
XLogP9.50
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500985.06
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

2,4-Dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 5061793
benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 139154705
bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);iridium;iridium(3+);5-(trifluoromethyl)-2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]pyrimidine;2-(trifluoromethyl)-5-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4H-pyrimidin-4-ide
CID 153425440
bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);iridium;iridium(3+);5-(trifluoromethyl)-2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]pyrimidine;2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]-4H-pyrimidin-4-ide
CID 153425456
(8S)-3,8-dimethyl-1-[6-[[(8R)-8-methyl-1-[6-[[8-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 154970541
8-[2-[6-(1,1-Difluoroethyl)-3-pyridinyl]ethyl]-12-methyl-4,6,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;8-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-4-methyl-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;8-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene;8-[2-[6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-12-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
CID 157050818
2,6-Bis(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)
CID 157146587
2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-tert-butyl-1H-1,2,4-triazol-3-yl)pyridine;iridium(3+);bis(2-methyl-4-pyridin-2-yl-5H-pyrimidin-5-ide);4-pyridin-2-yl-2-(trifluoromethyl)pyrimidine
CID 157386607
3-(5-tert-butyl-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-tert-butyl-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine
CID 157626771
iridium(3+);bis(2-methyl-4-pyridin-2-yl-5H-pyrimidin-5-ide);4-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyrimidine
CID 157973675
Bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158317289
tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide)
CID 158390593

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium?
The IUPAC name of tetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium (CID 22982382) is tetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium.
What is the SMILES notation for tetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium?
The canonical SMILES for tetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium is [Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc(-c2ncccn2)nc1.
What is the InChIKey of tetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium?
The InChIKey is RYSMSINUTWSSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H8N2.C8H6N4.2Ru/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-7(10-4-1)8-11-5-2-6-12-8;;/h4*1-8H;1-6H;;.
What are the key properties of tetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium?
tetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium has a molecular weight of 985.06 g/mol, XLogP of 9.50, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium is sourced from PubChem (CID 22982382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).