zinc;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

C42H47N10RuZn+ — CID 16683890

IUPACzinc;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESCc1ccnc(-c2cc(CN3CCC[N-]CC[N-]CCC[N-]CC3)ccn2)c1.[Ru+2].[Zn+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H31N6.2C10H8N2.Ru.Zn/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;;/h4-5,9-10,16-17H,2-3,6-8,11-15,18H2,1H3;2*1-8H;;/q-3;;;2*+2
InChIKeyMHFKZEMDQPSFMQ-UHFFFAOYSA-N
MW858.37 g/mol
LogP8.45
Rot. Bonds5

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

zinc;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (PubChem CID 16683890) has the molecular formula C42H47N10RuZn+ and a molecular weight of 858.37 g/mol. Its IUPAC name is zinc;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+).

Molecular Properties

Compound Namezinc;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
PubChem CID16683890
Molecular FormulaC42H47N10RuZn+
Molecular Weight858.37 g/mol
Exact Mass857.23
IUPAC Namezinc;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESCc1ccnc(-c2cc(CN3CCC[N-]CC[N-]CCC[N-]CC3)ccn2)c1.[Ru+2].[Zn+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H31N6.2C10H8N2.Ru.Zn/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;;/h4-5,9-10,16-17H,2-3,6-8,11-15,18H2,1H3;2*1-8H;;/q-3;;;2*+2
InChIKeyMHFKZEMDQPSFMQ-UHFFFAOYSA-N
XLogP8.45
TPSA122.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.37
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

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(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
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tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
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Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
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Frequently Asked Questions

What is the IUPAC name of zinc;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The IUPAC name of zinc;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (CID 16683890) is zinc;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+).
What is the SMILES notation for zinc;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The canonical SMILES for zinc;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is Cc1ccnc(-c2cc(CN3CCC[N-]CC[N-]CCC[N-]CC3)ccn2)c1.[Ru+2].[Zn+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of zinc;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The InChIKey is MHFKZEMDQPSFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N6.2C10H8N2.Ru.Zn/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;;/h4-5,9-10,16-17H,2-3,6-8,11-15,18H2,1H3;2*1-8H;;/q-3;;;2*+2.
What are the key properties of zinc;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
zinc;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) has a molecular weight of 858.37 g/mol, XLogP of 8.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is sourced from PubChem (CID 16683890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).