chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)

C52H64ClN9O5Os+ — CID 59575070

About chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)

chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine) (PubChem CID 59575070) has the molecular formula C52H64ClN9O5Os+ and a molecular weight of 1120.82 g/mol. Its IUPAC name is chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine).

Molecular Properties

• Compound Name: chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)
• PubChem CID: 59575070
• Molecular Formula: C52H64ClN9O5Os+
• Molecular Weight: 1120.82 g/mol
• Exact Mass: 1121.43
• IUPAC Name: chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)
• SMILES: CCC(CC(C)c1cc[n+](CCCCCC(=O)NCCCn2ccnc2)cc1)c1ccncc1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.Cl[Os]
• InChI: InChI=1S/C28H39N5O.2C12H12N2O2.ClH.Os/c1-3-25(27-9-14-29-15-10-27)22-24(2)26-11-19-32(20-12-26)17-6-4-5-8-28(34)31-13-7-18-33-21-16-30-23-33;2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;;/h9-12,14-16,19-21,23-25H,3-8,13,17-18,22H2,1-2H3;2*3-8H,1-2H3;1H;/q;;;;+1
• InChIKey: GRDVEWOUKIHGOP-UHFFFAOYSA-N
• XLogP: 10.03
• TPSA: 152.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1120.82
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)?

The IUPAC name of chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine) (CID 59575070) is chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine).

What is the SMILES notation for chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)?

The canonical SMILES for chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine) is CCC(CC(C)c1cc[n+](CCCCCC(=O)NCCCn2ccnc2)cc1)c1ccncc1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.Cl[Os].

What is the InChIKey of chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)?

The InChIKey is GRDVEWOUKIHGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O.2C12H12N2O2.ClH.Os/c1-3-25(27-9-14-29-15-10-27)22-24(2)26-11-19-32(20-12-26)17-6-4-5-8-28(34)31-13-7-18-33-21-16-30-23-33;2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;;/h9-12,14-16,19-21,23-25H,3-8,13,17-18,22H2,1-2H3;2*3-8H,1-2H3;1H;/q;;;;+1.

What are the key properties of chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)?

chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine) has a molecular weight of 1120.82 g/mol, XLogP of 10.03, 21 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine) is sourced from PubChem (CID 59575070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).