iridium;iridium(3+);tris(2-phenylpyridine);3-phenyl-2H-pyridin-2-ide;bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide)

C112H75Ir2N12O2Pt2S2-2 — CID 157063635

About iridium;iridium(3+);tris(2-phenylpyridine);3-phenyl-2H-pyridin-2-ide;bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide)

iridium;iridium(3+);tris(2-phenylpyridine);3-phenyl-2H-pyridin-2-ide;bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide) (PubChem CID 157063635) has the molecular formula C112H75Ir2N12O2Pt2S2-2 and a molecular weight of 2459.64 g/mol. Its IUPAC name is iridium;iridium(3+);tris(2-phenylpyridine);3-phenyl-2H-pyridin-2-ide;bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide).

Molecular Properties

• Compound Name: iridium;iridium(3+);tris(2-phenylpyridine);3-phenyl-2H-pyridin-2-ide;bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide)
• PubChem CID: 157063635
• Molecular Formula: C112H75Ir2N12O2Pt2S2-2
• Molecular Weight: 2459.64 g/mol
• Exact Mass: 2459.41
• IUPAC Name: iridium;iridium(3+);tris(2-phenylpyridine);3-phenyl-2H-pyridin-2-ide;bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide)
• SMILES: [Ir+3].[Ir].[Pt+2].[Pt+2].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.[c-]1cccc2c1N(c1ccccn1)c1ccccc1S2.[c-]1cccc2c1N(c1ccccn1)c1ccccc1S2.[c-]1ccccc1-c1[c-]nccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/2C17H11N2O.2C17H11N2S.3C11H8N.C11H7N.2Ir.2Pt/c4*1-3-9-15-13(7-1)19(17-11-5-6-12-18-17)14-8-2-4-10-16(14)20-15;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10(6-3-1)11-7-4-8-12-9-11;;;;/h4*1-7,9-12H;3*1-6,8-9H;1-5,7-8H;;;;/q7*-1;-2;;+3;2*+2
• InChIKey: DGPFMDNRNXQQST-UHFFFAOYSA-N
• XLogP: 28.53
• TPSA: 134.54 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2459.64
LogP ≤ 5	28.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;iridium(3+);tris(2-phenylpyridine);3-phenyl-2H-pyridin-2-ide;bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide)?

The IUPAC name of iridium;iridium(3+);tris(2-phenylpyridine);3-phenyl-2H-pyridin-2-ide;bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide) (CID 157063635) is iridium;iridium(3+);tris(2-phenylpyridine);3-phenyl-2H-pyridin-2-ide;bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide).

What is the SMILES notation for iridium;iridium(3+);tris(2-phenylpyridine);3-phenyl-2H-pyridin-2-ide;bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide)?

The canonical SMILES for iridium;iridium(3+);tris(2-phenylpyridine);3-phenyl-2H-pyridin-2-ide;bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide) is [Ir+3].[Ir].[Pt+2].[Pt+2].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.[c-]1cccc2c1N(c1ccccn1)c1ccccc1S2.[c-]1cccc2c1N(c1ccccn1)c1ccccc1S2.[c-]1ccccc1-c1[c-]nccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of iridium;iridium(3+);tris(2-phenylpyridine);3-phenyl-2H-pyridin-2-ide;bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide)?

The InChIKey is DGPFMDNRNXQQST-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H11N2O.2C17H11N2S.3C11H8N.C11H7N.2Ir.2Pt/c4*1-3-9-15-13(7-1)19(17-11-5-6-12-18-17)14-8-2-4-10-16(14)20-15;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10(6-3-1)11-7-4-8-12-9-11;;;;/h4*1-7,9-12H;3*1-6,8-9H;1-5,7-8H;;;;/q7*-1;-2;;+3;2*+2.

What are the key properties of iridium;iridium(3+);tris(2-phenylpyridine);3-phenyl-2H-pyridin-2-ide;bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide)?

iridium;iridium(3+);tris(2-phenylpyridine);3-phenyl-2H-pyridin-2-ide;bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide) has a molecular weight of 2459.64 g/mol, XLogP of 28.53, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;iridium(3+);tris(2-phenylpyridine);3-phenyl-2H-pyridin-2-ide;bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide) is sourced from PubChem (CID 157063635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).