2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)

C121H109F4Ir3N12-3 — CID 159913642

IUPAC2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(-c5ccc(C(F)(F)F)cc5)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(-c5ccc(F)cc5)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(-c5ccccc5)cc4)nc3)n2)cc1.[Ir].[Ir].[Ir]
InChIInChI=1S/C41H36F3N4.C40H36FN4.C40H37N4.3Ir/c1-39(2,3)32-18-13-29(14-19-32)36-46-37(30-15-20-33(21-16-30)40(4,5)6)48-38(47-36)31-17-24-35(45-25-31)28-9-7-26(8-10-28)27-11-22-34(23-12-27)41(42,43)44;1-39(2,3)32-18-11-29(12-19-32)36-43-37(30-13-20-33(21-14-30)40(4,5)6)45-38(44-36)31-17-24-35(42-25-31)28-9-7-26(8-10-28)27-15-22-34(41)23-16-27;1-39(2,3)33-21-16-30(17-22-33)36-42-37(31-18-23-34(24-19-31)40(4,5)6)44-38(43-36)32-20-25-35(41-26-32)29-14-12-28(13-15-29)27-10-8-7-9-11-27;;;/h7-9,11-25H,1-6H3;7-9,11-25H,1-6H3;7-14,16-26H,1-6H3;;;/q3*-1;;;
InChIKeyFHLYFPHEXHRGKC-UHFFFAOYSA-N
MW2383.93 g/mol
LogP31.14
Rot. Bonds15

About 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)

2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium) (PubChem CID 159913642) has the molecular formula C121H109F4Ir3N12-3 and a molecular weight of 2383.93 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium).

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)
PubChem CID159913642
Molecular FormulaC121H109F4Ir3N12-3
Molecular Weight2383.93 g/mol
Exact Mass2384.77
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(-c5ccc(C(F)(F)F)cc5)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(-c5ccc(F)cc5)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(-c5ccccc5)cc4)nc3)n2)cc1.[Ir].[Ir].[Ir]
InChIInChI=1S/C41H36F3N4.C40H36FN4.C40H37N4.3Ir/c1-39(2,3)32-18-13-29(14-19-32)36-46-37(30-15-20-33(21-16-30)40(4,5)6)48-38(47-36)31-17-24-35(45-25-31)28-9-7-26(8-10-28)27-11-22-34(23-12-27)41(42,43)44;1-39(2,3)32-18-11-29(12-19-32)36-43-37(30-13-20-33(21-14-30)40(4,5)6)45-38(44-36)31-17-24-35(42-25-31)28-9-7-26(8-10-28)27-15-22-34(41)23-16-27;1-39(2,3)33-21-16-30(17-22-33)36-42-37(31-18-23-34(24-19-31)40(4,5)6)44-38(43-36)32-20-25-35(41-26-32)29-14-12-28(13-15-29)27-10-8-7-9-11-27;;;/h7-9,11-25H,1-6H3;7-9,11-25H,1-6H3;7-14,16-26H,1-6H3;;;/q3*-1;;;
InChIKeyFHLYFPHEXHRGKC-UHFFFAOYSA-N
XLogP31.14
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002383.93
LogP ≤ 531.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium) with MolForge

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Related Compounds

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2-Phenyl-4,6-bis(3,5-dipyridylphenyl)pyrimidine
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4,6-Bis(3,5-di(pyridin-3-yl)phenyl)-2-(pyridin-3-yl)pyrimidine
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2,4,6-Tris(3'-(pyridin-3-yl)-[1,1'-biphenyl]-3-yl)-1,3,5-triazine
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2,4,6-Tris(3'-(pyridin-2yl)biphenyl-3-yl)-1,3,5-triazine
CID 129849643
5-Pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
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4-(4-Methylphenyl)-5-phenyl-2-(trifluoromethyl)-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
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2,4-Bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;iridium
CID 58261642
2,4-Bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]-1,3,5-triazine
CID 58261643

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)?
The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium) (CID 159913642) is 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium).
What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)?
The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium) is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(-c5ccc(C(F)(F)F)cc5)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(-c5ccc(F)cc5)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(-c5ccccc5)cc4)nc3)n2)cc1.[Ir].[Ir].[Ir].
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)?
The InChIKey is FHLYFPHEXHRGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36F3N4.C40H36FN4.C40H37N4.3Ir/c1-39(2,3)32-18-13-29(14-19-32)36-46-37(30-15-20-33(21-16-30)40(4,5)6)48-38(47-36)31-17-24-35(45-25-31)28-9-7-26(8-10-28)27-11-22-34(23-12-27)41(42,43)44;1-39(2,3)32-18-11-29(12-19-32)36-43-37(30-13-20-33(21-14-30)40(4,5)6)45-38(44-36)31-17-24-35(42-25-31)28-9-7-26(8-10-28)27-15-22-34(41)23-16-27;1-39(2,3)33-21-16-30(17-22-33)36-42-37(31-18-23-34(24-19-31)40(4,5)6)44-38(43-36)32-20-25-35(41-26-32)29-14-12-28(13-15-29)27-10-8-7-9-11-27;;;/h7-9,11-25H,1-6H3;7-9,11-25H,1-6H3;7-14,16-26H,1-6H3;;;/q3*-1;;;.
What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium)?
2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium) has a molecular weight of 2383.93 g/mol, XLogP of 31.14, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-tert-butylphenyl)-6-[6-[4-(4-fluorophenyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-[4-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;tris(iridium) is sourced from PubChem (CID 159913642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).