iridium(3+);2-[2-[2-[3-[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[2-[(4-phenyl-1,10-phenanthrolin-2-yl)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-1,10-phenanthroline;bis(platinum(2+))

C94H54IrN7O2Pt2 — CID 156674181

About iridium(3+);2-[2-[2-[3-[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[2-[(4-phenyl-1,10-phenanthrolin-2-yl)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-1,10-phenanthroline;bis(platinum(2+))

iridium(3+);2-[2-[2-[3-[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[2-[(4-phenyl-1,10-phenanthrolin-2-yl)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-1,10-phenanthroline;bis(platinum(2+)) (PubChem CID 156674181) has the molecular formula C94H54IrN7O2Pt2 and a molecular weight of 1895.89 g/mol. Its IUPAC name is iridium(3+);2-[2-[2-[3-[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[2-[(4-phenyl-1,10-phenanthrolin-2-yl)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-1,10-phenanthroline;bis(platinum(2+)).

Molecular Properties

• Compound Name: iridium(3+);2-[2-[2-[3-[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[2-[(4-phenyl-1,10-phenanthrolin-2-yl)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-1,10-phenanthroline;bis(platinum(2+))
• PubChem CID: 156674181
• Molecular Formula: C94H54IrN7O2Pt2
• Molecular Weight: 1895.89 g/mol
• Exact Mass: 1895.33
• IUPAC Name: iridium(3+);2-[2-[2-[3-[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[2-[(4-phenyl-1,10-phenanthrolin-2-yl)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-1,10-phenanthroline;bis(platinum(2+))
• SMILES: Cc1cc(-c2ccccn2)[c-]cc1-c1ccccc1-c1cc(-c2ccccc2-c2c[c-]c(-c3[c-]cccn3)[c-]c2Oc2cc(-c3ccccc3)c3ccc4cccnc4c3n2)cc(-c2ccccc2-c2c[c-]c(-c3[c-]cccn3)[c-]c2Oc2cc(-c3ccccc3)c3ccc4cccnc4c3n2)c1.[Ir+3].[Pt+2].[Pt+2]
• InChI: InChI=1S/C94H54N7O2.Ir.2Pt/c1-60-52-65(84-34-14-17-47-95-84)39-42-71(60)75-31-11-8-28-72(75)68-53-69(73-29-9-12-32-76(73)78-43-40-66(85-35-15-18-48-96-85)56-87(78)102-89-58-82(61-22-4-2-5-23-61)80-45-37-63-26-20-50-98-91(63)93(80)100-89)55-70(54-68)74-30-10-13-33-77(74)79-44-41-67(86-36-16-19-49-97-86)57-88(79)103-90-59-83(62-24-6-3-7-25-62)81-46-38-64-27-21-51-99-92(64)94(81)101-90;;;/h2-34,37-38,42-55,58-59H,1H3;;;/q-7;+3;2*+2
• InChIKey: JEXHNBUGLWEIOX-UHFFFAOYSA-N
• XLogP: 22.89
• TPSA: 108.69 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1895.89
LogP ≤ 5	22.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of iridium(3+);2-[2-[2-[3-[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[2-[(4-phenyl-1,10-phenanthrolin-2-yl)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-1,10-phenanthroline;bis(platinum(2+))?

The IUPAC name of iridium(3+);2-[2-[2-[3-[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[2-[(4-phenyl-1,10-phenanthrolin-2-yl)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-1,10-phenanthroline;bis(platinum(2+)) (CID 156674181) is iridium(3+);2-[2-[2-[3-[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[2-[(4-phenyl-1,10-phenanthrolin-2-yl)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-1,10-phenanthroline;bis(platinum(2+)).

What is the SMILES notation for iridium(3+);2-[2-[2-[3-[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[2-[(4-phenyl-1,10-phenanthrolin-2-yl)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-1,10-phenanthroline;bis(platinum(2+))?

The canonical SMILES for iridium(3+);2-[2-[2-[3-[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[2-[(4-phenyl-1,10-phenanthrolin-2-yl)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-1,10-phenanthroline;bis(platinum(2+)) is Cc1cc(-c2ccccn2)[c-]cc1-c1ccccc1-c1cc(-c2ccccc2-c2c[c-]c(-c3[c-]cccn3)[c-]c2Oc2cc(-c3ccccc3)c3ccc4cccnc4c3n2)cc(-c2ccccc2-c2c[c-]c(-c3[c-]cccn3)[c-]c2Oc2cc(-c3ccccc3)c3ccc4cccnc4c3n2)c1.[Ir+3].[Pt+2].[Pt+2].

What is the InChIKey of iridium(3+);2-[2-[2-[3-[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[2-[(4-phenyl-1,10-phenanthrolin-2-yl)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-1,10-phenanthroline;bis(platinum(2+))?

The InChIKey is JEXHNBUGLWEIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H54N7O2.Ir.2Pt/c1-60-52-65(84-34-14-17-47-95-84)39-42-71(60)75-31-11-8-28-72(75)68-53-69(73-29-9-12-32-76(73)78-43-40-66(85-35-15-18-48-96-85)56-87(78)102-89-58-82(61-22-4-2-5-23-61)80-45-37-63-26-20-50-98-91(63)93(80)100-89)55-70(54-68)74-30-10-13-33-77(74)79-44-41-67(86-36-16-19-49-97-86)57-88(79)103-90-59-83(62-24-6-3-7-25-62)81-46-38-64-27-21-51-99-92(64)94(81)101-90;;;/h2-34,37-38,42-55,58-59H,1H3;;;/q-7;+3;2*+2.

What are the key properties of iridium(3+);2-[2-[2-[3-[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[2-[(4-phenyl-1,10-phenanthrolin-2-yl)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-1,10-phenanthroline;bis(platinum(2+))?

iridium(3+);2-[2-[2-[3-[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[2-[(4-phenyl-1,10-phenanthrolin-2-yl)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-1,10-phenanthroline;bis(platinum(2+)) has a molecular weight of 1895.89 g/mol, XLogP of 22.89, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for iridium(3+);2-[2-[2-[3-[2-(2-methyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[2-[(4-phenyl-1,10-phenanthrolin-2-yl)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-1,10-phenanthroline;bis(platinum(2+)) is sourced from PubChem (CID 156674181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).