2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(2-hexylpyrimidin-5-yl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tris(iridium(3+));hexakis(2-phenylpyridine)

C169H149F4Ir3N22 — CID 160923707

About 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(2-hexylpyrimidin-5-yl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tris(iridium(3+));hexakis(2-phenylpyridine)

2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(2-hexylpyrimidin-5-yl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tris(iridium(3+));hexakis(2-phenylpyridine) (PubChem CID 160923707) has the molecular formula C169H149F4Ir3N22 and a molecular weight of 3140.85 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(2-hexylpyrimidin-5-yl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tris(iridium(3+));hexakis(2-phenylpyridine).

Molecular Properties

• Compound Name: 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(2-hexylpyrimidin-5-yl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tris(iridium(3+));hexakis(2-phenylpyridine)
• PubChem CID: 160923707
• Molecular Formula: C169H149F4Ir3N22
• Molecular Weight: 3140.85 g/mol
• Exact Mass: 3141.12
• IUPAC Name: 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(2-hexylpyrimidin-5-yl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tris(iridium(3+));hexakis(2-phenylpyridine)
• SMILES: CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(C(F)(F)F)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(F)cc4)nc3)n2)cc1.CCCCCCc1ncc(-c2nc(-c3ccc(-c4[c-]cccc4)nc3)nc(-c3cnc(CCCCCC)nc3)n2)cn1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C35H32F3N4.C34H32FN4.C34H37N8.6C11H8N.3Ir/c1-33(2,3)26-14-9-23(10-15-26)30-40-31(24-11-16-27(17-12-24)34(4,5)6)42-32(41-30)25-13-20-29(39-21-25)22-7-18-28(19-8-22)35(36,37)38;1-33(2,3)26-14-7-23(8-15-26)30-37-31(24-9-16-27(17-10-24)34(4,5)6)39-32(38-30)25-13-20-29(36-21-25)22-11-18-28(35)19-12-22;1-3-5-7-12-16-30-36-21-27(22-37-30)33-40-32(26-18-19-29(35-20-26)25-14-10-9-11-15-25)41-34(42-33)28-23-38-31(39-24-28)17-13-8-6-4-2;6*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h7,9-21H,1-6H3;7-11,13-21H,1-6H3;9-11,14,18-24H,3-8,12-13,16-17H2,1-2H3;6*1-6,8-9H;;;/q9*-1;3*+3
• InChIKey: NKCILFWYDPLTET-UHFFFAOYSA-N
• XLogP: 40.66
• TPSA: 283.58 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3140.85
LogP ≤ 5	40.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(2-hexylpyrimidin-5-yl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tris(iridium(3+));hexakis(2-phenylpyridine)?

The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(2-hexylpyrimidin-5-yl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tris(iridium(3+));hexakis(2-phenylpyridine) (CID 160923707) is 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(2-hexylpyrimidin-5-yl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tris(iridium(3+));hexakis(2-phenylpyridine).

What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(2-hexylpyrimidin-5-yl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tris(iridium(3+));hexakis(2-phenylpyridine)?

The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(2-hexylpyrimidin-5-yl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tris(iridium(3+));hexakis(2-phenylpyridine) is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(C(F)(F)F)cc4)nc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc(F)cc4)nc3)n2)cc1.CCCCCCc1ncc(-c2nc(-c3ccc(-c4[c-]cccc4)nc3)nc(-c3cnc(CCCCCC)nc3)n2)cn1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(2-hexylpyrimidin-5-yl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tris(iridium(3+));hexakis(2-phenylpyridine)?

The InChIKey is NKCILFWYDPLTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32F3N4.C34H32FN4.C34H37N8.6C11H8N.3Ir/c1-33(2,3)26-14-9-23(10-15-26)30-40-31(24-11-16-27(17-12-24)34(4,5)6)42-32(41-30)25-13-20-29(39-21-25)22-7-18-28(19-8-22)35(36,37)38;1-33(2,3)26-14-7-23(8-15-26)30-37-31(24-9-16-27(17-10-24)34(4,5)6)39-32(38-30)25-13-20-29(36-21-25)22-11-18-28(35)19-12-22;1-3-5-7-12-16-30-36-21-27(22-37-30)33-40-32(26-18-19-29(35-20-26)25-14-10-9-11-15-25)41-34(42-33)28-23-38-31(39-24-28)17-13-8-6-4-2;6*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h7,9-21H,1-6H3;7-11,13-21H,1-6H3;9-11,14,18-24H,3-8,12-13,16-17H2,1-2H3;6*1-6,8-9H;;;/q9*-1;3*+3.

What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(2-hexylpyrimidin-5-yl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tris(iridium(3+));hexakis(2-phenylpyridine)?

2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(2-hexylpyrimidin-5-yl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tris(iridium(3+));hexakis(2-phenylpyridine) has a molecular weight of 3140.85 g/mol, XLogP of 40.66, 28 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(4-tert-butylphenyl)-6-[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(2-hexylpyrimidin-5-yl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tris(iridium(3+));hexakis(2-phenylpyridine) is sourced from PubChem (CID 160923707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).