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

C67H40IrN5OPt — CID 156674156

IUPAC2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;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(Oc2cccc(-c3ccccn3)n2)[c-]c1-c1[c-]cccn1
InChIInChI=1S/C67H40N5O.Ir.Pt/c1-3-18-56(54(16-1)46-28-32-48(33-29-46)61-22-7-11-38-68-61)51-42-52(57-19-4-2-17-55(57)47-30-34-49(35-31-47)62-23-8-12-39-69-62)44-53(43-51)58-20-5-6-21-59(58)60-37-36-50(63-24-9-13-40-70-63)45-66(60)73-67-27-15-26-65(72-67)64-25-10-14-41-71-64;;/h1-23,25-32,34,37-44H;;/q-5;+3;+2
InChIKeyKURZLWDGJLBEKM-UHFFFAOYSA-N
MW1318.39 g/mol
LogP16.12
Rot. Bonds12

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

2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;iridium(3+);platinum(2+) (PubChem CID 156674156) has the molecular formula C67H40IrN5OPt and a molecular weight of 1318.39 g/mol. Its IUPAC name is 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;iridium(3+);platinum(2+).

Molecular Properties

Compound Name2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;iridium(3+);platinum(2+)
PubChem CID156674156
Molecular FormulaC67H40IrN5OPt
Molecular Weight1318.39 g/mol
Exact Mass1318.25
IUPAC Name2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;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(Oc2cccc(-c3ccccn3)n2)[c-]c1-c1[c-]cccn1
InChIInChI=1S/C67H40N5O.Ir.Pt/c1-3-18-56(54(16-1)46-28-32-48(33-29-46)61-22-7-11-38-68-61)51-42-52(57-19-4-2-17-55(57)47-30-34-49(35-31-47)62-23-8-12-39-69-62)44-53(43-51)58-20-5-6-21-59(58)60-37-36-50(63-24-9-13-40-70-63)45-66(60)73-67-27-15-26-65(72-67)64-25-10-14-41-71-64;;/h1-23,25-32,34,37-44H;;/q-5;+3;+2
InChIKeyKURZLWDGJLBEKM-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-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;iridium(3+);platinum(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;iridium(3+);platinum(2+)?
The IUPAC name of 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;iridium(3+);platinum(2+) (CID 156674156) is 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;iridium(3+);platinum(2+).
What is the SMILES notation for 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;iridium(3+);platinum(2+)?
The canonical SMILES for 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;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(Oc2cccc(-c3ccccn3)n2)[c-]c1-c1[c-]cccn1.
What is the InChIKey of 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;iridium(3+);platinum(2+)?
The InChIKey is KURZLWDGJLBEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40N5O.Ir.Pt/c1-3-18-56(54(16-1)46-28-32-48(33-29-46)61-22-7-11-38-68-61)51-42-52(57-19-4-2-17-55(57)47-30-34-49(35-31-47)62-23-8-12-39-69-62)44-53(43-51)58-20-5-6-21-59(58)60-37-36-50(63-24-9-13-40-70-63)45-66(60)73-67-27-15-26-65(72-67)64-25-10-14-41-71-64;;/h1-23,25-32,34,37-44H;;/q-5;+3;+2.
What are the key properties of 2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;iridium(3+);platinum(2+)?
2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;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-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;iridium(3+);platinum(2+) is sourced from PubChem (CID 156674156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).