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

C67H40IrN5OPt — CID 156674078

IUPAC2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+)
SMILES[Ir+3].[Pt+2].[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3)cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3)c2)c[c-]c1-c1nccc(Oc2cccc(-c3[c-]cccc3)n2)n1
InChIInChI=1S/C67H40N5O.Ir.Pt/c1-2-15-49(16-3-1)64-25-14-26-65(71-64)73-66-39-42-70-67(72-66)52-37-31-48(32-38-52)58-19-6-9-22-61(58)55-44-53(59-20-7-4-17-56(59)46-27-33-50(34-28-46)62-23-10-12-40-68-62)43-54(45-55)60-21-8-5-18-57(60)47-29-35-51(36-30-47)63-24-11-13-41-69-63;;/h1-15,17-33,35,39-45H;;/q-5;+3;+2
InChIKeyCJMCJQCGGNCHQT-UHFFFAOYSA-N
MW1318.39 g/mol
LogP16.12
Rot. Bonds12

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

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+) (PubChem CID 156674078) has the molecular formula C67H40IrN5OPt and a molecular weight of 1318.39 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+).

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+)
PubChem CID156674078
Molecular FormulaC67H40IrN5OPt
Molecular Weight1318.39 g/mol
Exact Mass1318.25
IUPAC Name2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+)
SMILES[Ir+3].[Pt+2].[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3)cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3)c2)c[c-]c1-c1nccc(Oc2cccc(-c3[c-]cccc3)n2)n1
InChIInChI=1S/C67H40N5O.Ir.Pt/c1-2-15-49(16-3-1)64-25-14-26-65(71-64)73-66-39-42-70-67(72-66)52-37-31-48(32-38-52)58-19-6-9-22-61(58)55-44-53(59-20-7-4-17-56(59)46-27-33-50(34-28-46)62-23-10-12-40-68-62)43-54(45-55)60-21-8-5-18-57(60)47-29-35-51(36-30-47)63-24-11-13-41-69-63;;/h1-15,17-33,35,39-45H;;/q-5;+3;+2
InChIKeyCJMCJQCGGNCHQT-UHFFFAOYSA-N
XLogP16.12
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001318.39
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+)?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+) (CID 156674078) is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+).
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+)?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+) is [Ir+3].[Pt+2].[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3)cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3)c2)c[c-]c1-c1nccc(Oc2cccc(-c3[c-]cccc3)n2)n1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+)?
The InChIKey is CJMCJQCGGNCHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40N5O.Ir.Pt/c1-2-15-49(16-3-1)64-25-14-26-65(71-64)73-66-39-42-70-67(72-66)52-37-31-48(32-38-52)58-19-6-9-22-61(58)55-44-53(59-20-7-4-17-56(59)46-27-33-50(34-28-46)62-23-10-12-40-68-62)43-54(45-55)60-21-8-5-18-57(60)47-29-35-51(36-30-47)63-24-11-13-41-69-63;;/h1-15,17-33,35,39-45H;;/q-5;+3;+2.
What are the key properties of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+)?
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+) has a molecular weight of 1318.39 g/mol, XLogP of 16.12, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[(6-phenyl-2-pyridinyl)oxy]pyrimidine;iridium(3+);platinum(2+) is sourced from PubChem (CID 156674078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).