chloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten

C58H70ClN9O2OsW — CID 58544414

IUPACchloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.[CH2-]Cl.[CH2-][n+]1ccc(C(CC)CC(CC(CC)c2cc[n+](CCCn3cc[n+]([CH2-])c3)cc2)c2ccncc2)cc1.[CH2-][n+]1ccc(C)cc1-c1cc(C)ccn1.[Os].[W]
InChIInChI=1S/C32H42N5.C13H14N2.C12H12N2O2.CH2Cl.Os.W/c1-5-27(30-10-18-34(3)19-11-30)24-32(29-8-14-33-15-9-29)25-28(6-2)31-12-20-36(21-13-31)16-7-17-37-23-22-35(4)26-37;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)3;1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-2;;/h8-15,18-23,26-28,32H,3-7,16-17,24-25H2,1-2H3;4-9H,3H2,1-2H3;3-8H,1-2H3;1H2;;/q+1;;;-1;;
InChIKeyDXYGIBHVBFCVJE-UHFFFAOYSA-N
MW1334.78 g/mol
LogP10.83
Rot. Bonds17

About chloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten

chloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten (PubChem CID 58544414) has the molecular formula C58H70ClN9O2OsW and a molecular weight of 1334.78 g/mol. Its IUPAC name is chloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten.

Molecular Properties

Compound Namechloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten
PubChem CID58544414
Molecular FormulaC58H70ClN9O2OsW
Molecular Weight1334.78 g/mol
Exact Mass1335.45
IUPAC Namechloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.[CH2-]Cl.[CH2-][n+]1ccc(C(CC)CC(CC(CC)c2cc[n+](CCCn3cc[n+]([CH2-])c3)cc2)c2ccncc2)cc1.[CH2-][n+]1ccc(C)cc1-c1cc(C)ccn1.[Os].[W]
InChIInChI=1S/C32H42N5.C13H14N2.C12H12N2O2.CH2Cl.Os.W/c1-5-27(30-10-18-34(3)19-11-30)24-32(29-8-14-33-15-9-29)25-28(6-2)31-12-20-36(21-13-31)16-7-17-37-23-22-35(4)26-37;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)3;1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-2;;/h8-15,18-23,26-28,32H,3-7,16-17,24-25H2,1-2H3;4-9H,3H2,1-2H3;3-8H,1-2H3;1H2;;/q+1;;;-1;;
InChIKeyDXYGIBHVBFCVJE-UHFFFAOYSA-N
XLogP10.83
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001334.78
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten?
The IUPAC name of chloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten (CID 58544414) is chloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten.
What is the SMILES notation for chloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten?
The canonical SMILES for chloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten is COc1ccnc(-c2cc(OC)ccn2)c1.[CH2-]Cl.[CH2-][n+]1ccc(C(CC)CC(CC(CC)c2cc[n+](CCCn3cc[n+]([CH2-])c3)cc2)c2ccncc2)cc1.[CH2-][n+]1ccc(C)cc1-c1cc(C)ccn1.[Os].[W].
What is the InChIKey of chloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten?
The InChIKey is DXYGIBHVBFCVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N5.C13H14N2.C12H12N2O2.CH2Cl.Os.W/c1-5-27(30-10-18-34(3)19-11-30)24-32(29-8-14-33-15-9-29)25-28(6-2)31-12-20-36(21-13-31)16-7-17-37-23-22-35(4)26-37;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)3;1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-2;;/h8-15,18-23,26-28,32H,3-7,16-17,24-25H2,1-2H3;4-9H,3H2,1-2H3;3-8H,1-2H3;1H2;;/q+1;;;-1;;.
What are the key properties of chloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten?
chloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten has a molecular weight of 1334.78 g/mol, XLogP of 10.83, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;1-methanidyl-4-[7-[1-[3-(3-methanidylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium;1-methanidyl-4-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;osmium;tungsten is sourced from PubChem (CID 58544414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).