2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine)

C78H73Ir2N5O2- — CID 159756053

IUPAC2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine)
SMILESCC(C)c1cc(-c2[c-]cccc2)nc(-c2cc(-c3ccccc3)cc(-c3[c-]cccc3)n2)c1.CC(C)c1ccnc(-c2[c-]cccc2)c1.CC(C)c1ccnc(-c2[c-]cccc2)c1.CO.CO.[Ir+3].[Ir].c1ccc(-c2ccnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C31H24N2.C17H13N.2C14H14N.2CH4O.2Ir/c1-22(2)26-18-28(24-14-8-4-9-15-24)32-30(19-26)31-21-27(23-12-6-3-7-13-23)20-29(33-31)25-16-10-5-11-17-25;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;2*1-2;;/h3-14,16,18-22H,1-2H3;1-13H;2*3-6,8-11H,1-2H3;2*2H,1H3;;/q-2;;2*-1;;;;+3
InChIKeyFQMDHPYAUODXTD-UHFFFAOYSA-N
MW1496.91 g/mol
LogP18.84
Rot. Bonds11

About 2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine)

2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine) (PubChem CID 159756053) has the molecular formula C78H73Ir2N5O2- and a molecular weight of 1496.91 g/mol. Its IUPAC name is 2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine).

Molecular Properties

Compound Name2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine)
PubChem CID159756053
Molecular FormulaC78H73Ir2N5O2-
Molecular Weight1496.91 g/mol
Exact Mass1497.50
IUPAC Name2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine)
SMILESCC(C)c1cc(-c2[c-]cccc2)nc(-c2cc(-c3ccccc3)cc(-c3[c-]cccc3)n2)c1.CC(C)c1ccnc(-c2[c-]cccc2)c1.CC(C)c1ccnc(-c2[c-]cccc2)c1.CO.CO.[Ir+3].[Ir].c1ccc(-c2ccnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C31H24N2.C17H13N.2C14H14N.2CH4O.2Ir/c1-22(2)26-18-28(24-14-8-4-9-15-24)32-30(19-26)31-21-27(23-12-6-3-7-13-23)20-29(33-31)25-16-10-5-11-17-25;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;2*1-2;;/h3-14,16,18-22H,1-2H3;1-13H;2*3-6,8-11H,1-2H3;2*2H,1H3;;/q-2;;2*-1;;;;+3
InChIKeyFQMDHPYAUODXTD-UHFFFAOYSA-N
XLogP18.84
TPSA104.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001496.91
LogP ≤ 518.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine) with MolForge

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Related Compounds

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3-[6-[2-[6-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(5-fluoropyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-fluoro-4-(trifluoromethyl)pyrrol-1-id-2-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(5-methylpyrrol-1-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[5-(trifluoromethyl)pyrrol-1-id-2-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+))
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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine)?
The IUPAC name of 2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine) (CID 159756053) is 2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine).
What is the SMILES notation for 2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine)?
The canonical SMILES for 2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine) is CC(C)c1cc(-c2[c-]cccc2)nc(-c2cc(-c3ccccc3)cc(-c3[c-]cccc3)n2)c1.CC(C)c1ccnc(-c2[c-]cccc2)c1.CC(C)c1ccnc(-c2[c-]cccc2)c1.CO.CO.[Ir+3].[Ir].c1ccc(-c2ccnc(-c3ccccc3)c2)cc1.
What is the InChIKey of 2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine)?
The InChIKey is FQMDHPYAUODXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2.C17H13N.2C14H14N.2CH4O.2Ir/c1-22(2)26-18-28(24-14-8-4-9-15-24)32-30(19-26)31-21-27(23-12-6-3-7-13-23)20-29(33-31)25-16-10-5-11-17-25;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;2*1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;2*1-2;;/h3-14,16,18-22H,1-2H3;1-13H;2*3-6,8-11H,1-2H3;2*2H,1H3;;/q-2;;2*-1;;;;+3.
What are the key properties of 2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine)?
2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine) has a molecular weight of 1496.91 g/mol, XLogP of 18.84, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine) is sourced from PubChem (CID 159756053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).