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

C114H76Ir2N10O2Pt2S2 — CID 157447487

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

bis(iridium(3+));phenylbenzene;bis(2-phenylpyridine);bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide) (PubChem CID 157447487) has the molecular formula C114H76Ir2N10O2Pt2S2 and a molecular weight of 2456.65 g/mol. Its IUPAC name is bis(iridium(3+));phenylbenzene;bis(2-phenylpyridine);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: bis(iridium(3+));phenylbenzene;bis(2-phenylpyridine);bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide)
• PubChem CID: 157447487
• Molecular Formula: C114H76Ir2N10O2Pt2S2
• Molecular Weight: 2456.65 g/mol
• Exact Mass: 2456.41
• IUPAC Name: bis(iridium(3+));phenylbenzene;bis(2-phenylpyridine);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+3].[Pt+2].[Pt+2].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.[c-]1cccc2c1N(c1ccccn1)c1ccccc1S2.[c-]1cccc2c1N(c1ccccn1)c1ccccc1S2.[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/2C17H11N2O.2C17H11N2S.2C12H8.2C11H8N.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;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4*1-7,9-12H;2*1-7,9H;2*1-6,8-9H;;;;/q4*-1;2*-2;2*-1;2*+3;2*+2
• InChIKey: LUOGZNWECNQJDJ-UHFFFAOYSA-N
• XLogP: 29.54
• TPSA: 108.76 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2456.65
LogP ≤ 5	29.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(iridium(3+));phenylbenzene;bis(2-phenylpyridine);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 bis(iridium(3+));phenylbenzene;bis(2-phenylpyridine);bis(platinum(2+));bis(10-pyridin-2-yl-1H-phenothiazin-1-ide);bis(10-pyridin-2-yl-1H-phenoxazin-1-ide) (CID 157447487) is bis(iridium(3+));phenylbenzene;bis(2-phenylpyridine);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 bis(iridium(3+));phenylbenzene;bis(2-phenylpyridine);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 bis(iridium(3+));phenylbenzene;bis(2-phenylpyridine);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+3].[Pt+2].[Pt+2].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.[c-]1cccc2c1N(c1ccccn1)c1ccccc1S2.[c-]1cccc2c1N(c1ccccn1)c1ccccc1S2.[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

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

The InChIKey is LUOGZNWECNQJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H11N2O.2C17H11N2S.2C12H8.2C11H8N.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;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4*1-7,9-12H;2*1-7,9H;2*1-6,8-9H;;;;/q4*-1;2*-2;2*-1;2*+3;2*+2.

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

bis(iridium(3+));phenylbenzene;bis(2-phenylpyridine);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 2456.65 g/mol, XLogP of 29.54, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(iridium(3+));phenylbenzene;bis(2-phenylpyridine);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 157447487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).