iridium(3+);platinum(2+);2-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-4,6-bis[2-(4-pyrimidin-2-ylbenzene-5-id-1-yl)phenyl]-1,3,5-triazine

C62H35IrN10OPt — CID 156674243

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

iridium(3+);platinum(2+);2-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-4,6-bis[2-(4-pyrimidin-2-ylbenzene-5-id-1-yl)phenyl]-1,3,5-triazine (PubChem CID 156674243) has the molecular formula C62H35IrN10OPt and a molecular weight of 1323.33 g/mol. Its IUPAC name is iridium(3+);platinum(2+);2-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-4,6-bis[2-(4-pyrimidin-2-ylbenzene-5-id-1-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: iridium(3+);platinum(2+);2-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-4,6-bis[2-(4-pyrimidin-2-ylbenzene-5-id-1-yl)phenyl]-1,3,5-triazine
• PubChem CID: 156674243
• Molecular Formula: C62H35IrN10OPt
• Molecular Weight: 1323.33 g/mol
• Exact Mass: 1323.23
• IUPAC Name: iridium(3+);platinum(2+);2-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-4,6-bis[2-(4-pyrimidin-2-ylbenzene-5-id-1-yl)phenyl]-1,3,5-triazine
• SMILES: [Ir+3].[Pt+2].[c-]1cc(-c2ccccc2-c2nc(-c3ccccc3-c3c[c-]c(-c4ncccn4)cc3)nc(-c3ccccc3-c3c[c-]c(-c4ncccn4)cc3)n2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1
• InChI: InChI=1S/C62H35N10O.Ir.Pt/c1-4-18-52(48(15-1)41-22-26-43(27-23-41)57-64-33-10-34-65-57)60-70-61(53-19-5-2-16-49(53)42-24-28-44(29-25-42)58-66-35-11-36-67-58)72-62(71-60)54-20-6-3-17-50(54)51-31-30-46(59-68-37-12-38-69-59)40-56(51)73-47-14-9-13-45(39-47)55-21-7-8-32-63-55;;/h1-26,28,31-38H;;/q-5;+3;+2
• InChIKey: UTLWOULZVSGBQU-UHFFFAOYSA-N
• XLogP: 13.09
• TPSA: 138.13 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1323.33
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of iridium(3+);platinum(2+);2-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-4,6-bis[2-(4-pyrimidin-2-ylbenzene-5-id-1-yl)phenyl]-1,3,5-triazine (CID 156674243) is iridium(3+);platinum(2+);2-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-4,6-bis[2-(4-pyrimidin-2-ylbenzene-5-id-1-yl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for iridium(3+);platinum(2+);2-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-4,6-bis[2-(4-pyrimidin-2-ylbenzene-5-id-1-yl)phenyl]-1,3,5-triazine is [Ir+3].[Pt+2].[c-]1cc(-c2ccccc2-c2nc(-c3ccccc3-c3c[c-]c(-c4ncccn4)cc3)nc(-c3ccccc3-c3c[c-]c(-c4ncccn4)cc3)n2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1.

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

The InChIKey is UTLWOULZVSGBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H35N10O.Ir.Pt/c1-4-18-52(48(15-1)41-22-26-43(27-23-41)57-64-33-10-34-65-57)60-70-61(53-19-5-2-16-49(53)42-24-28-44(29-25-42)58-66-35-11-36-67-58)72-62(71-60)54-20-6-3-17-50(54)51-31-30-46(59-68-37-12-38-69-59)40-56(51)73-47-14-9-13-45(39-47)55-21-7-8-32-63-55;;/h1-26,28,31-38H;;/q-5;+3;+2.

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

iridium(3+);platinum(2+);2-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-4,6-bis[2-(4-pyrimidin-2-ylbenzene-5-id-1-yl)phenyl]-1,3,5-triazine has a molecular weight of 1323.33 g/mol, XLogP of 13.09, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for iridium(3+);platinum(2+);2-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-4,6-bis[2-(4-pyrimidin-2-ylbenzene-5-id-1-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 156674243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).