2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide

C28H19N3OPt — CID 23569955

IUPAC2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide
SMILES[Pt+2].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H11N2O.C11H8N.Pt/c1-3-9-15-13(7-1)19(17-11-5-6-12-18-17)14-8-2-4-10-16(14)20-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9-12H;1-6,8-9H;/q2*-1;+2
InChIKeyKLOGQKYLISFGAO-UHFFFAOYSA-N
MW608.56 g/mol
LogP7.00
Rot. Bonds2

About 2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide

2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide (PubChem CID 23569955) has the molecular formula C28H19N3OPt and a molecular weight of 608.56 g/mol. Its IUPAC name is 2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide.

Molecular Properties

Compound Name2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide
PubChem CID23569955
Molecular FormulaC28H19N3OPt
Molecular Weight608.56 g/mol
Exact Mass608.12
IUPAC Name2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide
SMILES[Pt+2].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H11N2O.C11H8N.Pt/c1-3-9-15-13(7-1)19(17-11-5-6-12-18-17)14-8-2-4-10-16(14)20-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9-12H;1-6,8-9H;/q2*-1;+2
InChIKeyKLOGQKYLISFGAO-UHFFFAOYSA-N
XLogP7.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.56
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide?
The IUPAC name of 2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide (CID 23569955) is 2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide.
What is the SMILES notation for 2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide?
The canonical SMILES for 2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide is [Pt+2].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide?
The InChIKey is KLOGQKYLISFGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N2O.C11H8N.Pt/c1-3-9-15-13(7-1)19(17-11-5-6-12-18-17)14-8-2-4-10-16(14)20-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9-12H;1-6,8-9H;/q2*-1;+2.
What are the key properties of 2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide?
2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide has a molecular weight of 608.56 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide is sourced from PubChem (CID 23569955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).