2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+)

C61H36IrN9OPt — CID 156674268

About 2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+)

2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+) (PubChem CID 156674268) has the molecular formula C61H36IrN9OPt and a molecular weight of 1298.32 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+).

Molecular Properties

• Compound Name: 2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+)
• PubChem CID: 156674268
• Molecular Formula: C61H36IrN9OPt
• Molecular Weight: 1298.32 g/mol
• Exact Mass: 1298.23
• IUPAC Name: 2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+)
• SMILES: [Ir+3].[Pt+2].[c-]1cc(-c2ccccc2-c2cc(-c3cncn3-c3c[c-]c(-c4ccccn4)cc3)cc(-c3cncn3-c3c[c-]c(-c4ccccn4)cc3)c2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1
• InChI: InChI=1S/C61H36N9O.Ir.Pt/c1-2-14-53(54-27-22-45(61-67-31-10-32-68-61)37-60(54)71-51-12-9-11-44(36-51)57-17-5-8-30-66-57)52(13-1)46-33-47(58-38-62-40-69(58)49-23-18-42(19-24-49)55-15-3-6-28-64-55)35-48(34-46)59-39-63-41-70(59)50-25-20-43(21-26-50)56-16-4-7-29-65-56;;/h1-18,20,23-35,38-41H;;/q-5;+3;+2
• InChIKey: FUCHRRDJCSVERK-UHFFFAOYSA-N
• XLogP: 13.16
• TPSA: 109.32 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1298.32
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+)?

The IUPAC name of 2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+) (CID 156674268) is 2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+).

What is the SMILES notation for 2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+)?

The canonical SMILES for 2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+) is [Ir+3].[Pt+2].[c-]1cc(-c2ccccc2-c2cc(-c3cncn3-c3c[c-]c(-c4ccccn4)cc3)cc(-c3cncn3-c3c[c-]c(-c4ccccn4)cc3)c2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1.

What is the InChIKey of 2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+)?

The InChIKey is FUCHRRDJCSVERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N9O.Ir.Pt/c1-2-14-53(54-27-22-45(61-67-31-10-32-68-61)37-60(54)71-51-12-9-11-44(36-51)57-17-5-8-30-66-57)52(13-1)46-33-47(58-38-62-40-69(58)49-23-18-42(19-24-49)55-15-3-6-28-64-55)35-48(34-46)59-39-63-41-70(59)50-25-20-43(21-26-50)56-16-4-7-29-65-56;;/h1-18,20,23-35,38-41H;;/q-5;+3;+2.

What are the key properties of 2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+)?

2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+) has a molecular weight of 1298.32 g/mol, XLogP of 13.16, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[3,5-bis[3-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-4-yl]phenyl]phenyl]-3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2,6-diid-1-yl]pyrimidine;iridium(3+);platinum(2+) is sourced from PubChem (CID 156674268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).