2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+))

C₁₀₅H₆₀IrN₉O₃Pt₃ — CID 156674126

About 2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+))

2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+)) (PubChem CID 156674126) has the molecular formula C₁₀₅H₆₀IrN₉O₃Pt₃ and a molecular weight of 2273.15 g/mol. Its IUPAC name is 2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+)).

Molecular Properties

• Compound Name: 2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+))
• PubChem CID: 156674126
• Molecular Formula: C₁₀₅H₆₀IrN₉O₃Pt₃
• Molecular Weight: 2273.15 g/mol
• Exact Mass: 2272.34
• IUPAC Name: 2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+))
• SMILES: [Ir+3].[Pt+2].[Pt+2].[Pt+2].[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4[c-]cccn4)[c-]c3Oc3cc(-c4ccccc4)cc(-c4ccccn4)n3)cc(-c3ccccc3-c3c[c-]c(-c4[c-]cccn4)[c-]c3Oc3cc(-c4ccccc4)cc(-c4ccccn4)n3)c2)c(Oc2cc(-c3ccccc3)cc(-c3ccccn3)n2)[c-]c1-c1[c-]cccn1
• InChI: InChI=1S/C105H60N9O3.Ir.3Pt/c1-4-28-70(29-5-1)76-61-97(94-43-19-25-55-109-94)112-103(67-76)115-100-64-73(91-40-16-22-52-106-91)46-49-88(100)85-37-13-10-34-82(85)79-58-80(83-35-11-14-38-86(83)89-50-47-74(92-41-17-23-53-107-92)65-101(89)116-104-68-77(71-30-6-2-7-31-71)62-98(113-104)95-44-20-26-56-110-95)60-81(59-79)84-36-12-15-39-87(84)90-51-48-75(93-42-18-24-54-108-93)66-102(90)117-105-69-78(72-32-8-3-9-33-72)63-99(114-105)96-45-21-27-57-111-96;;;;/h1-39,43-45,49-63,67-69H;;;;/q-9;+3;3*+2
• InChIKey: MWUMYLNWKNICKT-UHFFFAOYSA-N
• XLogP: 24.82
• TPSA: 143.70 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2273.15
LogP ≤ 5	24.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+))?

The IUPAC name of 2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+)) (CID 156674126) is 2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+)).

What is the SMILES notation for 2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+))?

The canonical SMILES for 2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+)) is [Ir+3].[Pt+2].[Pt+2].[Pt+2].[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4[c-]cccn4)[c-]c3Oc3cc(-c4ccccc4)cc(-c4ccccn4)n3)cc(-c3ccccc3-c3c[c-]c(-c4[c-]cccn4)[c-]c3Oc3cc(-c4ccccc4)cc(-c4ccccn4)n3)c2)c(Oc2cc(-c3ccccc3)cc(-c3ccccn3)n2)[c-]c1-c1[c-]cccn1.

What is the InChIKey of 2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+))?

The InChIKey is MWUMYLNWKNICKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H60N9O3.Ir.3Pt/c1-4-28-70(29-5-1)76-61-97(94-43-19-25-55-109-94)112-103(67-76)115-100-64-73(91-40-16-22-52-106-91)46-49-88(100)85-37-13-10-34-82(85)79-58-80(83-35-11-14-38-86(83)89-50-47-74(92-41-17-23-53-107-92)65-101(89)116-104-68-77(71-30-6-2-7-31-71)62-98(113-104)95-44-20-26-56-110-95)60-81(59-79)84-36-12-15-39-87(84)90-51-48-75(93-42-18-24-54-108-93)66-102(90)117-105-69-78(72-32-8-3-9-33-72)63-99(114-105)96-45-21-27-57-111-96;;;;/h1-39,43-45,49-63,67-69H;;;;/q-9;+3;3*+2.

What are the key properties of 2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+))?

2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+)) has a molecular weight of 2273.15 g/mol, XLogP of 24.82, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+)) is sourced from PubChem (CID 156674126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156674126 — identifiers, structure, computed properties (public domain)

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