2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine

C146H184F3Ir4N8O6-5 — CID 158353694

About 2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine

2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine (PubChem CID 158353694) has the molecular formula C146H184F3Ir4N8O6-5 and a molecular weight of 2972.99 g/mol. Its IUPAC name is 2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine
• PubChem CID: 158353694
• Molecular Formula: C146H184F3Ir4N8O6-5
• Molecular Weight: 2972.99 g/mol
• Exact Mass: 2974.28
• IUPAC Name: 2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine
• SMILES: CC(C)(Cc1ccnc(-c2[c-]c3ccccc3c(C3CCCCC3)c2)c1)C(F)(F)F.CC(C)c1nc(-c2ccc(-c3[c-]cccc3)nc2)nc(C(C)C)n1.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2nccc3cc(C4CCC(C)(C)CC4)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(CC4(C)CCCC4)ccc23)cc(C)c1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C26H27F3N.C25H28N.C24H26N.C20H21N4.3C13H24O2.C12H10N.4Ir/c1-25(2,26(27,28)29)17-18-12-13-30-24(14-18)21-15-20-10-6-7-11-22(20)23(16-21)19-8-4-3-5-9-19;1-17-13-18(2)15-22(14-17)24-23-6-5-20(16-21(23)9-12-26-24)19-7-10-25(3,4)11-8-19;1-17-12-18(2)14-21(13-17)23-22-7-6-19(15-20(22)8-11-25-23)16-24(3)9-4-5-10-24;1-13(2)18-22-19(14(3)4)24-20(23-18)16-10-11-17(21-12-16)15-8-6-5-7-9-15;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h6-7,10-14,16,19H,3-5,8-9,17H2,1-2H3;5-6,9,12-14,16,19H,7-8,10-11H2,1-4H3;6-8,11-13,15H,4-5,9-10,16H2,1-3H3;5-8,10-14H,1-4H3;3*9-11,14H,5-8H2,1-4H3;2-7,9H,1H3;;;;/q4*-1;;;;-1
• InChIKey: WIIZHHLDNBBJCX-UHFFFAOYSA-N
• XLogP: 40.43
• TPSA: 215.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 35
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2972.99
LogP ≤ 5	40.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine?

The IUPAC name of 2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine (CID 158353694) is 2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine.

What is the SMILES notation for 2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine?

The canonical SMILES for 2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine is CC(C)(Cc1ccnc(-c2[c-]c3ccccc3c(C3CCCCC3)c2)c1)C(F)(F)F.CC(C)c1nc(-c2ccc(-c3[c-]cccc3)nc2)nc(C(C)C)n1.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2nccc3cc(C4CCC(C)(C)CC4)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc(CC4(C)CCCC4)ccc23)cc(C)c1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine?

The InChIKey is WIIZHHLDNBBJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N.C25H28N.C24H26N.C20H21N4.3C13H24O2.C12H10N.4Ir/c1-25(2,26(27,28)29)17-18-12-13-30-24(14-18)21-15-20-10-6-7-11-22(20)23(16-21)19-8-4-3-5-9-19;1-17-13-18(2)15-22(14-17)24-23-6-5-20(16-21(23)9-12-26-24)19-7-10-25(3,4)11-8-19;1-17-12-18(2)14-21(13-17)23-22-7-6-19(15-20(22)8-11-25-23)16-24(3)9-4-5-10-24;1-13(2)18-22-19(14(3)4)24-20(23-18)16-10-11-17(21-12-16)15-8-6-5-7-9-15;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h6-7,10-14,16,19H,3-5,8-9,17H2,1-2H3;5-6,9,12-14,16,19H,7-8,10-11H2,1-4H3;6-8,11-13,15H,4-5,9-10,16H2,1-3H3;5-8,10-14H,1-4H3;3*9-11,14H,5-8H2,1-4H3;2-7,9H,1H3;;;;/q4*-1;;;;-1;;;;.

What are the key properties of 2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine?

2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine has a molecular weight of 2972.99 g/mol, XLogP of 40.43, 35 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)-6-(4,4-dimethylcyclohexyl)isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-[(1-methylcyclopentyl)methyl]isoquinoline;tetrakis(iridium);2-methyl-6-phenylpyridine;2-(6-phenyl-3-pyridinyl)-4,6-di(propan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 158353694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).