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

C32H27N6Os — CID 176846109

IUPACosmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine)
SMILESNCc1cc[c-]c(-c2ccccn2)c1.[Os+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H11N2.2C10H8N2.Os/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-4,6-8H,9,13H2;2*1-8H;/q-1;;;+1
InChIKeyMKDGCRZICCWRRZ-UHFFFAOYSA-N
MW685.84 g/mol
LogP6.29
Rot. Bonds4

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

osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine) (PubChem CID 176846109) has the molecular formula C32H27N6Os and a molecular weight of 685.84 g/mol. Its IUPAC name is osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Nameosmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine)
PubChem CID176846109
Molecular FormulaC32H27N6Os
Molecular Weight685.84 g/mol
Exact Mass687.19
IUPAC Nameosmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine)
SMILESNCc1cc[c-]c(-c2ccccn2)c1.[Os+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H11N2.2C10H8N2.Os/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-4,6-8H,9,13H2;2*1-8H;/q-1;;;+1
InChIKeyMKDGCRZICCWRRZ-UHFFFAOYSA-N
XLogP6.29
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.84
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine)
CID 176846202
2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium
CID 58162023
iridium;2-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304
iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine
CID 59865387
iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium
CID 59782033
iridium;tris(2-phenylpyridine)
CID 23386734
2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 140587213
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
(2-pyridin-2-ylimidazo[1,2-a]pyridin-7-yl)methanamine
CID 82059883
2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium
CID 58658159
osmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine
CID 176846079
chlorozinc(1+);2-phenylpyridine
CID 59773311

Frequently Asked Questions

What is the IUPAC name of osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine)?
The IUPAC name of osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine) (CID 176846109) is osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine) is NCc1cc[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)methanamine;bis(2-pyridin-2-ylpyridine)?
The InChIKey is MKDGCRZICCWRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N2.2C10H8N2.Os/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-4,6-8H,9,13H2;2*1-8H;/q-1;;;+1.
What are the key properties of osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine)?
osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine) has a molecular weight of 685.84 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 176846109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).