2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[6-(2-diphenylphosphaniumylpropan-2-yl)-2-pyridinyl]propan-2-yl-diphenylphosphanium;2,6-dipyridin-2-ylpyridine;iridium;iridium(3+);pyridine-2,6-dicarboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium

C160H138F14Ir2N14O4P2Re2- — CID 159594191

About 2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[6-(2-diphenylphosphaniumylpropan-2-yl)-2-pyridinyl]propan-2-yl-diphenylphosphanium;2,6-dipyridin-2-ylpyridine;iridium;iridium(3+);pyridine-2,6-dicarboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium

2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[6-(2-diphenylphosphaniumylpropan-2-yl)-2-pyridinyl]propan-2-yl-diphenylphosphanium;2,6-dipyridin-2-ylpyridine;iridium;iridium(3+);pyridine-2,6-dicarboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium (PubChem CID 159594191) has the molecular formula C160H138F14Ir2N14O4P2Re2- and a molecular weight of 3405.73 g/mol. Its IUPAC name is 2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[6-(2-diphenylphosphaniumylpropan-2-yl)-2-pyridinyl]propan-2-yl-diphenylphosphanium;2,6-dipyridin-2-ylpyridine;iridium;iridium(3+);pyridine-2,6-dicarboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium.

Molecular Properties

• Compound Name: 2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[6-(2-diphenylphosphaniumylpropan-2-yl)-2-pyridinyl]propan-2-yl-diphenylphosphanium;2,6-dipyridin-2-ylpyridine;iridium;iridium(3+);pyridine-2,6-dicarboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium
• PubChem CID: 159594191
• Molecular Formula: C160H138F14Ir2N14O4P2Re2-
• Molecular Weight: 3405.73 g/mol
• Exact Mass: 3406.87
• IUPAC Name: 2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[6-(2-diphenylphosphaniumylpropan-2-yl)-2-pyridinyl]propan-2-yl-diphenylphosphanium;2,6-dipyridin-2-ylpyridine;iridium;iridium(3+);pyridine-2,6-dicarboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium
• SMILES: CC(C)(c1[c-]c(C(C)(C)c2ccccn2)ccc1)c1ccccn1.CC(C)(c1[c-]cc(C(F)(F)F)cc1)c1cccc(C(C)(C)c2[c-]cc(C(F)(F)F)cc2)n1.CC(C)(c1cccc(C(C)(C)[PH+](c2ccccc2)c2ccccc2)n1)[PH+](c1ccccc1)c1ccccc1.CC(C)(c1ccccn1)c1[c-]c(C(C)(C)c2ccccn2)c(C(F)(F)F)cc1C(F)(F)F.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.O=C(O)c1cccc(C(=O)O)n1.[Ir+3].[Ir].[Re].[Re].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/C35H35NP2.C25H21F6N.C24H21F6N2.C22H23N2.C16H9F2N2.C16H11N2.C15H11N3.C7H5NO4.2Ir.2Re/c1-34(2,37(28-18-9-5-10-19-28)29-20-11-6-12-21-29)32-26-17-27-33(36-32)35(3,4)38(30-22-13-7-14-23-30)31-24-15-8-16-25-31;1-22(2,16-8-12-18(13-9-16)24(26,27)28)20-6-5-7-21(32-20)23(3,4)17-10-14-19(15-11-17)25(29,30)31;1-21(2,19-9-5-7-11-31-19)15-13-16(22(3,4)20-10-6-8-12-32-20)18(24(28,29)30)14-17(15)23(25,26)27;1-21(2,19-12-5-7-14-23-19)17-10-9-11-18(16-17)22(3,4)20-13-6-8-15-24-20;17-13-10-14(18)12(16-6-2-4-8-20-16)9-11(13)15-5-1-3-7-19-15;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;9-6(10)4-2-1-3-5(8-4)7(11)12;;;;/h5-27H,1-4H3;5-8,10,12-15H,1-4H3;5-12,14H,1-4H3;5-15H,1-4H3;1-8,10H;2*1-11H;1-3H,(H,9,10)(H,11,12);;;;/q;-2;4*-1;;;;+3;;/p+2
• InChIKey: BNSPAUAWYVRLIF-UHFFFAOYSA-P
• XLogP: 37.72
• TPSA: 255.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3405.73
LogP ≤ 5	37.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[6-(2-diphenylphosphaniumylpropan-2-yl)-2-pyridinyl]propan-2-yl-diphenylphosphanium;2,6-dipyridin-2-ylpyridine;iridium;iridium(3+);pyridine-2,6-dicarboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium?

The IUPAC name of 2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[6-(2-diphenylphosphaniumylpropan-2-yl)-2-pyridinyl]propan-2-yl-diphenylphosphanium;2,6-dipyridin-2-ylpyridine;iridium;iridium(3+);pyridine-2,6-dicarboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium (CID 159594191) is 2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[6-(2-diphenylphosphaniumylpropan-2-yl)-2-pyridinyl]propan-2-yl-diphenylphosphanium;2,6-dipyridin-2-ylpyridine;iridium;iridium(3+);pyridine-2,6-dicarboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium.

What is the SMILES notation for 2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[6-(2-diphenylphosphaniumylpropan-2-yl)-2-pyridinyl]propan-2-yl-diphenylphosphanium;2,6-dipyridin-2-ylpyridine;iridium;iridium(3+);pyridine-2,6-dicarboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium?

The canonical SMILES for 2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[6-(2-diphenylphosphaniumylpropan-2-yl)-2-pyridinyl]propan-2-yl-diphenylphosphanium;2,6-dipyridin-2-ylpyridine;iridium;iridium(3+);pyridine-2,6-dicarboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium is CC(C)(c1[c-]c(C(C)(C)c2ccccn2)ccc1)c1ccccn1.CC(C)(c1[c-]cc(C(F)(F)F)cc1)c1cccc(C(C)(C)c2[c-]cc(C(F)(F)F)cc2)n1.CC(C)(c1cccc(C(C)(C)[PH+](c2ccccc2)c2ccccc2)n1)[PH+](c1ccccc1)c1ccccc1.CC(C)(c1ccccn1)c1[c-]c(C(C)(C)c2ccccn2)c(C(F)(F)F)cc1C(F)(F)F.Fc1cc(F)c(-c2ccccn2)[c-]c1-c1ccccn1.O=C(O)c1cccc(C(=O)O)n1.[Ir+3].[Ir].[Re].[Re].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.

What is the InChIKey of 2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[6-(2-diphenylphosphaniumylpropan-2-yl)-2-pyridinyl]propan-2-yl-diphenylphosphanium;2,6-dipyridin-2-ylpyridine;iridium;iridium(3+);pyridine-2,6-dicarboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium?

The InChIKey is BNSPAUAWYVRLIF-UHFFFAOYSA-P. The full InChI is InChI=1S/C35H35NP2.C25H21F6N.C24H21F6N2.C22H23N2.C16H9F2N2.C16H11N2.C15H11N3.C7H5NO4.2Ir.2Re/c1-34(2,37(28-18-9-5-10-19-28)29-20-11-6-12-21-29)32-26-17-27-33(36-32)35(3,4)38(30-22-13-7-14-23-30)31-24-15-8-16-25-31;1-22(2,16-8-12-18(13-9-16)24(26,27)28)20-6-5-7-21(32-20)23(3,4)17-10-14-19(15-11-17)25(29,30)31;1-21(2,19-9-5-7-11-31-19)15-13-16(22(3,4)20-10-6-8-12-32-20)18(24(28,29)30)14-17(15)23(25,26)27;1-21(2,19-12-5-7-14-23-19)17-10-9-11-18(16-17)22(3,4)20-13-6-8-15-24-20;17-13-10-14(18)12(16-6-2-4-8-20-16)9-11(13)15-5-1-3-7-19-15;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;9-6(10)4-2-1-3-5(8-4)7(11)12;;;;/h5-27H,1-4H3;5-8,10,12-15H,1-4H3;5-12,14H,1-4H3;5-15H,1-4H3;1-8,10H;2*1-11H;1-3H,(H,9,10)(H,11,12);;;;/q;-2;4*-1;;;;+3;;/p+2.

What are the key properties of 2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[6-(2-diphenylphosphaniumylpropan-2-yl)-2-pyridinyl]propan-2-yl-diphenylphosphanium;2,6-dipyridin-2-ylpyridine;iridium;iridium(3+);pyridine-2,6-dicarboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium?

2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[6-(2-diphenylphosphaniumylpropan-2-yl)-2-pyridinyl]propan-2-yl-diphenylphosphanium;2,6-dipyridin-2-ylpyridine;iridium;iridium(3+);pyridine-2,6-dicarboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium has a molecular weight of 3405.73 g/mol, XLogP of 37.72, 28 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;2-[6-(2-diphenylphosphaniumylpropan-2-yl)-2-pyridinyl]propan-2-yl-diphenylphosphanium;2,6-dipyridin-2-ylpyridine;iridium;iridium(3+);pyridine-2,6-dicarboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium is sourced from PubChem (CID 159594191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).