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-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-2-pyridinyl]oxy]pyrimidine;iridium(3+);platinum(2+)

C85H52IrN5OPt — CID 156674150

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-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-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-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-2-pyridinyl]oxy]pyrimidine;iridium(3+);platinum(2+) (PubChem CID 156674150) has the molecular formula C85H52IrN5OPt and a molecular weight of 1546.68 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-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-2-pyridinyl]oxy]pyrimidine;iridium(3+);platinum(2+).

Molecular Properties

• Compound Name: 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-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-2-pyridinyl]oxy]pyrimidine;iridium(3+);platinum(2+)
• PubChem CID: 156674150
• Molecular Formula: C85H52IrN5OPt
• Molecular Weight: 1546.68 g/mol
• Exact Mass: 1546.34
• IUPAC Name: 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-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-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-]ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c3)n2)n1
• InChI: InChI=1S/C85H52N5O.Ir.Pt/c1-2-16-58(17-3-1)59-30-32-60(33-31-59)61-34-36-62(37-35-61)69-18-14-19-70(54-69)82-28-15-29-83(89-82)91-84-50-53-88-85(90-84)68-48-42-65(43-49-68)76-22-6-9-25-79(76)73-56-71(77-23-7-4-20-74(77)63-38-44-66(45-39-63)80-26-10-12-51-86-80)55-72(57-73)78-24-8-5-21-75(78)64-40-46-67(47-41-64)81-27-11-13-52-87-81;;/h1-18,20-44,46,50-57H;;/q-5;+3;+2
• InChIKey: XVDMWOVVGAQNAQ-UHFFFAOYSA-N
• XLogP: 21.12
• TPSA: 73.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1546.68
LogP ≤ 5	21.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]-4-[[6-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-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-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-2-pyridinyl]oxy]pyrimidine;iridium(3+);platinum(2+) (CID 156674150) 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-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-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-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-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-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-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-]ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c3)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-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-2-pyridinyl]oxy]pyrimidine;iridium(3+);platinum(2+)?

The InChIKey is XVDMWOVVGAQNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H52N5O.Ir.Pt/c1-2-16-58(17-3-1)59-30-32-60(33-31-59)61-34-36-62(37-35-61)69-18-14-19-70(54-69)82-28-15-29-83(89-82)91-84-50-53-88-85(90-84)68-48-42-65(43-49-68)76-22-6-9-25-79(76)73-56-71(77-23-7-4-20-74(77)63-38-44-66(45-39-63)80-26-10-12-51-86-80)55-72(57-73)78-24-8-5-21-75(78)64-40-46-67(47-41-64)81-27-11-13-52-87-81;;/h1-18,20-44,46,50-57H;;/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-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-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-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-2-pyridinyl]oxy]pyrimidine;iridium(3+);platinum(2+) has a molecular weight of 1546.68 g/mol, XLogP of 21.12, 15 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-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]-2-pyridinyl]oxy]pyrimidine;iridium(3+);platinum(2+) is sourced from PubChem (CID 156674150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).