1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

C42H52N10Ru+4 — CID 16683895

IUPAC1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESCc1ccnc(-c2cc(CN3CCC[NH2+]CCNCCC[NH2+]CC3)ccn2)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H34N6.2C10H8N2.Ru/c1-19-4-9-26-21(16-19)22-17-20(5-10-27-22)18-28-14-3-8-24-12-11-23-6-2-7-25-13-15-28;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h4-5,9-10,16-17,23-25H,2-3,6-8,11-15,18H2,1H3;2*1-8H;/q;;;+2/p+2
InChIKeyGBFZMEKGQBTEDK-UHFFFAOYSA-P
MW798.02 g/mol
LogP4.05
Rot. Bonds5

About 1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (PubChem CID 16683895) has the molecular formula C42H52N10Ru+4 and a molecular weight of 798.02 g/mol. Its IUPAC name is 1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+).

Molecular Properties

Compound Name1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
PubChem CID16683895
Molecular FormulaC42H52N10Ru+4
Molecular Weight798.02 g/mol
Exact Mass798.34
IUPAC Name1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESCc1ccnc(-c2cc(CN3CCC[NH2+]CCNCCC[NH2+]CC3)ccn2)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H34N6.2C10H8N2.Ru/c1-19-4-9-26-21(16-19)22-17-20(5-10-27-22)18-28-14-3-8-24-12-11-23-6-2-7-25-13-15-28;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h4-5,9-10,16-17,23-25H,2-3,6-8,11-15,18H2,1H3;2*1-8H;/q;;;+2/p+2
InChIKeyGBFZMEKGQBTEDK-UHFFFAOYSA-P
XLogP4.05
TPSA125.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500798.02
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) with MolForge

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Related Compounds

meso-Tetrakis(2-N-methylpyridyl)porphine
CID 135398505
5,10,15,20-Tetra(4-pyridyl)porphyrin
CID 135411729
5,10,15,20-Tetra(1-methyl-4-pyridyl)-porphyrin
CID 4234
tetrakis(N-methyl-4-pyridiniumyl)porphine manganese(III) complex
CID 5486195
5,10,15,20-Tetrakis(N-methyl-4-pyridyl)-21,23H-porphyrin tetrachloride
CID 135509775
(5Z,9Z,14Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-1,20,22,24-tetrahydroporphyrin
CID 136037251
5,10,15,20-(tetra-N-methyl-4-pyridyl)porphyrin tetraiodide
CID 135537069
N,N-bis(pyridin-2-ylmethyl)-1-[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]-4-pyridinyl]methanamine
CID 155519564
N,N-bis(pyridin-2-ylmethyl)-1-[2-[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]-4-pyridinyl]methanamine
CID 155521909
5-(1-Hexadecylpyridin-1-ium-4-yl)-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin tetraiodide
CID 155526145
N,N-bis(pyridin-2-ylmethyl)-1-[6-[5-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-2-pyridinyl]-3-pyridinyl]methanamine
CID 155533877
5-(1-Dodecylpyridin-1-ium-4-yl)-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin tetraiodide
CID 155534134

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The IUPAC name of 1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (CID 16683895) is 1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+).
What is the SMILES notation for 1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The canonical SMILES for 1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is Cc1ccnc(-c2cc(CN3CCC[NH2+]CCNCCC[NH2+]CC3)ccn2)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The InChIKey is GBFZMEKGQBTEDK-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H34N6.2C10H8N2.Ru/c1-19-4-9-26-21(16-19)22-17-20(5-10-27-22)18-28-14-3-8-24-12-11-23-6-2-7-25-13-15-28;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h4-5,9-10,16-17,23-25H,2-3,6-8,11-15,18H2,1H3;2*1-8H;/q;;;+2/p+2.
What are the key properties of 1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) has a molecular weight of 798.02 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1,8-diaza-4,11-diazoniacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is sourced from PubChem (CID 16683895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).