4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten

C55H66N13OsW+ — CID 58544398

IUPAC4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten
SMILESCn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.[CH2-][n+]1ccc(C(CC)CC(CC(CC)c2cc[n+](CCCCc3ccnc(-c4ccccn4)c3)cc2)c2ccncc2)cc1.[Os].[W]
InChIInChI=1S/C39H46N5.2C8H10N4.Os.W/c1-4-32(35-15-24-43(3)25-16-35)29-37(34-13-20-40-21-14-34)30-33(5-2)36-17-26-44(27-18-36)23-9-7-10-31-12-22-42-39(28-31)38-11-6-8-19-41-38;2*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;/h6,8,11-22,24-28,32-33,37H,3-5,7,9-10,23,29-30H2,1-2H3;2*3-6H,1-2H3;;/q+1;;;;
InChIKeyOMBURGPAWHVKHQ-UHFFFAOYSA-N
MW1283.29 g/mol
LogP9.66
Rot. Bonds17

About 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten

4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten (PubChem CID 58544398) has the molecular formula C55H66N13OsW+ and a molecular weight of 1283.29 g/mol. Its IUPAC name is 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten.

Molecular Properties

Compound Name4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten
PubChem CID58544398
Molecular FormulaC55H66N13OsW+
Molecular Weight1283.29 g/mol
Exact Mass1284.47
IUPAC Name4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten
SMILESCn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.[CH2-][n+]1ccc(C(CC)CC(CC(CC)c2cc[n+](CCCCc3ccnc(-c4ccccn4)c3)cc2)c2ccncc2)cc1.[Os].[W]
InChIInChI=1S/C39H46N5.2C8H10N4.Os.W/c1-4-32(35-15-24-43(3)25-16-35)29-37(34-13-20-40-21-14-34)30-33(5-2)36-17-26-44(27-18-36)23-9-7-10-31-12-22-42-39(28-31)38-11-6-8-19-41-38;2*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;/h6,8,11-22,24-28,32-33,37H,3-5,7,9-10,23,29-30H2,1-2H3;2*3-6H,1-2H3;;/q+1;;;;
InChIKeyOMBURGPAWHVKHQ-UHFFFAOYSA-N
XLogP9.66
TPSA117.71 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001283.29
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten?
The IUPAC name of 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten (CID 58544398) is 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten.
What is the SMILES notation for 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten?
The canonical SMILES for 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten is Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.[CH2-][n+]1ccc(C(CC)CC(CC(CC)c2cc[n+](CCCCc3ccnc(-c4ccccn4)c3)cc2)c2ccncc2)cc1.[Os].[W].
What is the InChIKey of 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten?
The InChIKey is OMBURGPAWHVKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46N5.2C8H10N4.Os.W/c1-4-32(35-15-24-43(3)25-16-35)29-37(34-13-20-40-21-14-34)30-33(5-2)36-17-26-44(27-18-36)23-9-7-10-31-12-22-42-39(28-31)38-11-6-8-19-41-38;2*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;/h6,8,11-22,24-28,32-33,37H,3-5,7,9-10,23,29-30H2,1-2H3;2*3-6H,1-2H3;;/q+1;;;;.
What are the key properties of 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten?
4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten has a molecular weight of 1283.29 g/mol, XLogP of 9.66, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;tungsten is sourced from PubChem (CID 58544398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).