2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine

C182H158Ir6N28O-6 — CID 157112576

IUPAC2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(-c4[c-]cccc4)nc3)nc(-c3ccc(C(C)(C)C)cn3)n2)nc1.CCCCc1ccc(-c2nc(-c3ccc(CCCC)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.CCCOc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.CCCc1ccc(-c2nc(-c3ccc(CCC)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.Cc1ccc(-c2nc(-c3ccc(-c4[c-]cccc4)nc3)nc(-c3ccc(C)cn3)n2)nc1.Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C34H33N4.C32H31N6.C32H29N4.C30H25N4O.C28H21N4.C26H19N6.6Ir/c1-3-5-10-25-14-18-28(19-15-25)32-36-33(29-20-16-26(17-21-29)11-6-4-2)38-34(37-32)30-22-23-31(35-24-30)27-12-8-7-9-13-27;1-31(2,3)23-13-16-26(34-19-23)29-36-28(22-12-15-25(33-18-22)21-10-8-7-9-11-21)37-30(38-29)27-17-14-24(20-35-27)32(4,5)6;1-3-8-23-12-16-26(17-13-23)30-34-31(27-18-14-24(9-4-2)15-19-27)36-32(35-30)28-20-21-29(33-22-28)25-10-6-5-7-11-25;1-3-19-35-26-16-13-24(14-17-26)29-32-28(23-11-9-21(2)10-12-23)33-30(34-29)25-15-18-27(31-20-25)22-7-5-4-6-8-22;1-19-8-12-22(13-9-19)26-30-27(23-14-10-20(2)11-15-23)32-28(31-26)24-16-17-25(29-18-24)21-6-4-3-5-7-21;1-17-8-11-22(27-14-17)25-30-24(31-26(32-25)23-12-9-18(2)15-28-23)20-10-13-21(29-16-20)19-6-4-3-5-7-19;;;;;;/h7-9,12,14-24H,3-6,10-11H2,1-2H3;7-10,12-20H,1-6H3;5-7,10,12-22H,3-4,8-9H2,1-2H3;4-7,9-18,20H,3,19H2,1-2H3;3-6,8-18H,1-2H3;3-6,8-16H,1-2H3;;;;;;/q6*-1;;;;;;
InChIKeyOGLRVVDCHLAFQR-UHFFFAOYSA-N
MW3906.76 g/mol
LogP41.49
Rot. Bonds37

About 2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine

2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine (PubChem CID 157112576) has the molecular formula C182H158Ir6N28O-6 and a molecular weight of 3906.76 g/mol. Its IUPAC name is 2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine
PubChem CID157112576
Molecular FormulaC182H158Ir6N28O-6
Molecular Weight3906.76 g/mol
Exact Mass3909.10
IUPAC Name2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(-c4[c-]cccc4)nc3)nc(-c3ccc(C(C)(C)C)cn3)n2)nc1.CCCCc1ccc(-c2nc(-c3ccc(CCCC)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.CCCOc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.CCCc1ccc(-c2nc(-c3ccc(CCC)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.Cc1ccc(-c2nc(-c3ccc(-c4[c-]cccc4)nc3)nc(-c3ccc(C)cn3)n2)nc1.Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C34H33N4.C32H31N6.C32H29N4.C30H25N4O.C28H21N4.C26H19N6.6Ir/c1-3-5-10-25-14-18-28(19-15-25)32-36-33(29-20-16-26(17-21-29)11-6-4-2)38-34(37-32)30-22-23-31(35-24-30)27-12-8-7-9-13-27;1-31(2,3)23-13-16-26(34-19-23)29-36-28(22-12-15-25(33-18-22)21-10-8-7-9-11-21)37-30(38-29)27-17-14-24(20-35-27)32(4,5)6;1-3-8-23-12-16-26(17-13-23)30-34-31(27-18-14-24(9-4-2)15-19-27)36-32(35-30)28-20-21-29(33-22-28)25-10-6-5-7-11-25;1-3-19-35-26-16-13-24(14-17-26)29-32-28(23-11-9-21(2)10-12-23)33-30(34-29)25-15-18-27(31-20-25)22-7-5-4-6-8-22;1-19-8-12-22(13-9-19)26-30-27(23-14-10-20(2)11-15-23)32-28(31-26)24-16-17-25(29-18-24)21-6-4-3-5-7-21;1-17-8-11-22(27-14-17)25-30-24(31-26(32-25)23-12-9-18(2)15-28-23)20-10-13-21(29-16-20)19-6-4-3-5-7-19;;;;;;/h7-9,12,14-24H,3-6,10-11H2,1-2H3;7-10,12-20H,1-6H3;5-7,10,12-22H,3-4,8-9H2,1-2H3;4-7,9-18,20H,3,19H2,1-2H3;3-6,8-18H,1-2H3;3-6,8-16H,1-2H3;;;;;;/q6*-1;;;;;;
InChIKeyOGLRVVDCHLAFQR-UHFFFAOYSA-N
XLogP41.49
TPSA370.15 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds37
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003906.76
LogP ≤ 541.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine (CID 157112576) is 2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine is CC(C)(C)c1ccc(-c2nc(-c3ccc(-c4[c-]cccc4)nc3)nc(-c3ccc(C(C)(C)C)cn3)n2)nc1.CCCCc1ccc(-c2nc(-c3ccc(CCCC)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.CCCOc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.CCCc1ccc(-c2nc(-c3ccc(CCC)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.Cc1ccc(-c2nc(-c3ccc(-c4[c-]cccc4)nc3)nc(-c3ccc(C)cn3)n2)nc1.Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine?
The InChIKey is OGLRVVDCHLAFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N4.C32H31N6.C32H29N4.C30H25N4O.C28H21N4.C26H19N6.6Ir/c1-3-5-10-25-14-18-28(19-15-25)32-36-33(29-20-16-26(17-21-29)11-6-4-2)38-34(37-32)30-22-23-31(35-24-30)27-12-8-7-9-13-27;1-31(2,3)23-13-16-26(34-19-23)29-36-28(22-12-15-25(33-18-22)21-10-8-7-9-11-21)37-30(38-29)27-17-14-24(20-35-27)32(4,5)6;1-3-8-23-12-16-26(17-13-23)30-34-31(27-18-14-24(9-4-2)15-19-27)36-32(35-30)28-20-21-29(33-22-28)25-10-6-5-7-11-25;1-3-19-35-26-16-13-24(14-17-26)29-32-28(23-11-9-21(2)10-12-23)33-30(34-29)25-15-18-27(31-20-25)22-7-5-4-6-8-22;1-19-8-12-22(13-9-19)26-30-27(23-14-10-20(2)11-15-23)32-28(31-26)24-16-17-25(29-18-24)21-6-4-3-5-7-21;1-17-8-11-22(27-14-17)25-30-24(31-26(32-25)23-12-9-18(2)15-28-23)20-10-13-21(29-16-20)19-6-4-3-5-7-19;;;;;;/h7-9,12,14-24H,3-6,10-11H2,1-2H3;7-10,12-20H,1-6H3;5-7,10,12-22H,3-4,8-9H2,1-2H3;4-7,9-18,20H,3,19H2,1-2H3;3-6,8-18H,1-2H3;3-6,8-16H,1-2H3;;;;;;/q6*-1;;;;;;.
What are the key properties of 2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine?
2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine has a molecular weight of 3906.76 g/mol, XLogP of 41.49, 37 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-tert-butyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;hexakis(iridium);2-(4-methylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(4-propoxyphenyl)-1,3,5-triazine;2-(6-phenyl-3-pyridinyl)-4,6-bis(4-propylphenyl)-1,3,5-triazine is sourced from PubChem (CID 157112576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).