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

C72H41IrN8OPt — CID 156674281

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

iridium(3+);3-[4-[2-[4-[2-(4-isoquinolin-3-ylbenzene-5-id-1-yl)phenyl]-6-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;platinum(2+) (PubChem CID 156674281) has the molecular formula C72H41IrN8OPt and a molecular weight of 1421.47 g/mol. Its IUPAC name is iridium(3+);3-[4-[2-[4-[2-(4-isoquinolin-3-ylbenzene-5-id-1-yl)phenyl]-6-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;platinum(2+).

Molecular Properties

• Compound Name: iridium(3+);3-[4-[2-[4-[2-(4-isoquinolin-3-ylbenzene-5-id-1-yl)phenyl]-6-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;platinum(2+)
• PubChem CID: 156674281
• Molecular Formula: C72H41IrN8OPt
• Molecular Weight: 1421.47 g/mol
• Exact Mass: 1421.27
• IUPAC Name: iridium(3+);3-[4-[2-[4-[2-(4-isoquinolin-3-ylbenzene-5-id-1-yl)phenyl]-6-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;platinum(2+)
• SMILES: [Ir+3].[Pt+2].[c-]1cc(-c2ccccc2-c2nc(-c3ccccc3-c3c[c-]c(-c4cc5ccccc5cn4)cc3)nc(-c3ccccc3-c3c[c-]c(-c4cc5ccccc5cn4)cc3)n2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1
• InChI: InChI=1S/C72H41N8O.Ir.Pt/c1-3-17-55-45-76-66(42-51(55)15-1)49-32-28-47(29-33-49)58-21-5-8-24-62(58)70-78-71(63-25-9-6-22-59(63)48-30-34-50(35-31-48)67-43-52-16-2-4-18-56(52)46-77-67)80-72(79-70)64-26-10-7-23-60(64)61-37-36-54(69-74-39-14-40-75-69)44-68(61)81-57-20-13-19-53(41-57)65-27-11-12-38-73-65;;/h1-32,34,37-40,42-43,45-46H;;/q-5;+3;+2
• InChIKey: GYYKMSTVYPAVIV-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 112.35 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1421.47
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of iridium(3+);3-[4-[2-[4-[2-(4-isoquinolin-3-ylbenzene-5-id-1-yl)phenyl]-6-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;platinum(2+) (CID 156674281) is iridium(3+);3-[4-[2-[4-[2-(4-isoquinolin-3-ylbenzene-5-id-1-yl)phenyl]-6-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;platinum(2+).

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

The canonical SMILES for iridium(3+);3-[4-[2-[4-[2-(4-isoquinolin-3-ylbenzene-5-id-1-yl)phenyl]-6-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;platinum(2+) is [Ir+3].[Pt+2].[c-]1cc(-c2ccccc2-c2nc(-c3ccccc3-c3c[c-]c(-c4cc5ccccc5cn4)cc3)nc(-c3ccccc3-c3c[c-]c(-c4cc5ccccc5cn4)cc3)n2)c(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c1-c1ncccn1.

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

The InChIKey is GYYKMSTVYPAVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H41N8O.Ir.Pt/c1-3-17-55-45-76-66(42-51(55)15-1)49-32-28-47(29-33-49)58-21-5-8-24-62(58)70-78-71(63-25-9-6-22-59(63)48-30-34-50(35-31-48)67-43-52-16-2-4-18-56(52)46-77-67)80-72(79-70)64-26-10-7-23-60(64)61-37-36-54(69-74-39-14-40-75-69)44-68(61)81-57-20-13-19-53(41-57)65-27-11-12-38-73-65;;/h1-32,34,37-40,42-43,45-46H;;/q-5;+3;+2.

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

iridium(3+);3-[4-[2-[4-[2-(4-isoquinolin-3-ylbenzene-5-id-1-yl)phenyl]-6-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;platinum(2+) has a molecular weight of 1421.47 g/mol, XLogP of 16.61, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for iridium(3+);3-[4-[2-[4-[2-(4-isoquinolin-3-ylbenzene-5-id-1-yl)phenyl]-6-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-4-pyrimidin-2-ylbenzene-3,5-diid-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;platinum(2+) is sourced from PubChem (CID 156674281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).