chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride

C28H28Cl3N8Os-2 — CID 157205084

IUPACchloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride
SMILESCl[Os].Cn1ccnc1-c1ccccn1.Cn1ccnc1-c1ccccn1.Cn1cnc(-c2ccccc2)c1.[Cl-].[Cl-]
InChIInChI=1S/C10H10N2.2C9H9N3.3ClH.Os/c1-12-7-10(11-8-12)9-5-3-2-4-6-9;2*1-12-7-6-11-9(12)8-4-2-3-5-10-8;;;;/h2-8H,1H3;2*2-7H,1H3;3*1H;/q;;;;;;+1/p-3
InChIKeyARGKINCOULMHNP-UHFFFAOYSA-K
MW773.18 g/mol
LogP-0.25
Rot. Bonds3

About chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride

chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride (PubChem CID 157205084) has the molecular formula C28H28Cl3N8Os-2 and a molecular weight of 773.18 g/mol. Its IUPAC name is chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride.

Molecular Properties

Compound Namechloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride
PubChem CID157205084
Molecular FormulaC28H28Cl3N8Os-2
Molecular Weight773.18 g/mol
Exact Mass773.11
IUPAC Namechloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride
SMILESCl[Os].Cn1ccnc1-c1ccccn1.Cn1ccnc1-c1ccccn1.Cn1cnc(-c2ccccc2)c1.[Cl-].[Cl-]
InChIInChI=1S/C10H10N2.2C9H9N3.3ClH.Os/c1-12-7-10(11-8-12)9-5-3-2-4-6-9;2*1-12-7-6-11-9(12)8-4-2-3-5-10-8;;;;/h2-8H,1H3;2*2-7H,1H3;3*1H;/q;;;;;;+1/p-3
InChIKeyARGKINCOULMHNP-UHFFFAOYSA-K
XLogP-0.25
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500773.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 23534671
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CID 15897140
chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride
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CID 142155183
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CID 160998922
2-(1,4-dimethylpyrrol-2-yl)pyridine;ethane
CID 143140664
2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 153458259
3-(1-methylimidazol-4-yl)benzoic acid
CID 82608062
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
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CID 134304641
1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole
CID 158259756
2-(1-methyl-5-phenylimidazol-2-yl)pyridine
CID 53243377

Frequently Asked Questions

What is the IUPAC name of chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride?
The IUPAC name of chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride (CID 157205084) is chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride.
What is the SMILES notation for chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride?
The canonical SMILES for chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride is Cl[Os].Cn1ccnc1-c1ccccn1.Cn1ccnc1-c1ccccn1.Cn1cnc(-c2ccccc2)c1.[Cl-].[Cl-].
What is the InChIKey of chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride?
The InChIKey is ARGKINCOULMHNP-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H10N2.2C9H9N3.3ClH.Os/c1-12-7-10(11-8-12)9-5-3-2-4-6-9;2*1-12-7-6-11-9(12)8-4-2-3-5-10-8;;;;/h2-8H,1H3;2*2-7H,1H3;3*1H;/q;;;;;;+1/p-3.
What are the key properties of chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride?
chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride has a molecular weight of 773.18 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-4-phenylimidazole;dichloride is sourced from PubChem (CID 157205084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).