osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine)

C32H27N6OOs — CID 176846202

IUPACosmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine)
SMILESNCOc1cc[c-]c(-c2ccccn2)c1.[Os+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H11N2O.2C10H8N2.Os/c13-9-15-11-5-3-4-10(8-11)12-6-1-2-7-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-3,5-8H,9,13H2;2*1-8H;/q-1;;;+1
InChIKeyUUMZYMIDPASUMP-UHFFFAOYSA-N
MW701.84 g/mol
LogP6.13
Rot. Bonds5

About osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine)

osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine) (PubChem CID 176846202) has the molecular formula C32H27N6OOs and a molecular weight of 701.84 g/mol. Its IUPAC name is osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Nameosmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine)
PubChem CID176846202
Molecular FormulaC32H27N6OOs
Molecular Weight701.84 g/mol
Exact Mass703.19
IUPAC Nameosmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine)
SMILESNCOc1cc[c-]c(-c2ccccn2)c1.[Os+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H11N2O.2C10H8N2.Os/c13-9-15-11-5-3-4-10(8-11)12-6-1-2-7-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-3,5-8H,9,13H2;2*1-8H;/q-1;;;+1
InChIKeyUUMZYMIDPASUMP-UHFFFAOYSA-N
XLogP6.13
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.84
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine)
CID 176846109
iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine
CID 59865387
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
iridium;2-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304
2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium
CID 58162023
iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium
CID 59782033
iridium;tris(2-phenylpyridine)
CID 23386734
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
iridium(3+);bis(3-pyridin-2-ylbenzene-4-id-1-ol);(3-pyridin-2-ylbenzene-4-id-1-yl) 2-methylprop-2-enoate
CID 58914266
2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 140587213
2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium
CID 58658159

Frequently Asked Questions

What is the IUPAC name of osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine)?
The IUPAC name of osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine) (CID 176846202) is osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine) is NCOc1cc[c-]c(-c2ccccn2)c1.[Os+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine)?
The InChIKey is UUMZYMIDPASUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N2O.2C10H8N2.Os/c13-9-15-11-5-3-4-10(8-11)12-6-1-2-7-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-3,5-8H,9,13H2;2*1-8H;/q-1;;;+1.
What are the key properties of osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine)?
osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine) has a molecular weight of 701.84 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 176846202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).