2,6-bis(2-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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

C163H141F9Ir4N21O8Re-3 — CID 157453449

IUPAC2,6-bis(2-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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
SMILESCC(C)(c1[c-]c(C(C)(C)c2ccccn2)ccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1cccc(C(C)(C)c2[c-]cccc2)n1.CC(C)(c1ccccn1)c1[c-]c(C(C)(C)c2ccccn2)c(C(F)(F)F)cc1C(F)(F)F.Cc1c[c-]c(C(C)(C)c2cccc(C(C)(C)c3[c-]cc(C(F)(F)F)cc3)n2)cc1.O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1cccc(C(=O)O)n1.[Ir+3].[Ir+3].[Ir].[Ir].[Re].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-n2cccn2)cccc1-n1cccn1.[c-]1c(-n2cccn2)cccc1-n1cccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C25H24F3N.C24H21F6N2.C23H23N.C22H23N2.C16H11N2.C15H11N3.2C12H9N4.2C7H5NO4.4Ir.Re/c1-17-9-11-18(12-10-17)23(2,3)21-7-6-8-22(29-21)24(4,5)19-13-15-20(16-14-19)25(26,27)28;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;1-22(2,18-12-7-5-8-13-18)20-16-11-17-21(24-20)23(3,4)19-14-9-6-10-15-19;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;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;2*1-4-11(15-8-2-6-13-15)10-12(5-1)16-9-3-7-14-16;2*9-6(10)4-2-1-3-5(8-4)7(11)12;;;;;/h6-11,13,15-16H,1-5H3;5-12,14H,1-4H3;5-12,14,16-17H,1-4H3;5-15H,1-4H3;2*1-11H;2*1-9H;2*1-3H,(H,9,10)(H,11,12);;;;;/q-2;-1;-2;2*-1;;2*-1;;;;;2*+3;
InChIKeyZLOOWYWBMLOSAZ-UHFFFAOYSA-N
MW3648.12 g/mol
LogP35.37
Rot. Bonds28

About 2,6-bis(2-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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 157453449) has the molecular formula C163H141F9Ir4N21O8Re-3 and a molecular weight of 3648.12 g/mol. Its IUPAC name is 2,6-bis(2-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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 Name2,6-bis(2-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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 CID157453449
Molecular FormulaC163H141F9Ir4N21O8Re-3
Molecular Weight3648.12 g/mol
Exact Mass3649.92
IUPAC Name2,6-bis(2-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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
SMILESCC(C)(c1[c-]c(C(C)(C)c2ccccn2)ccc1)c1ccccn1.CC(C)(c1[c-]cccc1)c1cccc(C(C)(C)c2[c-]cccc2)n1.CC(C)(c1ccccn1)c1[c-]c(C(C)(C)c2ccccn2)c(C(F)(F)F)cc1C(F)(F)F.Cc1c[c-]c(C(C)(C)c2cccc(C(C)(C)c3[c-]cc(C(F)(F)F)cc3)n2)cc1.O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1cccc(C(=O)O)n1.[Ir+3].[Ir+3].[Ir].[Ir].[Re].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-n2cccn2)cccc1-n1cccn1.[c-]1c(-n2cccn2)cccc1-n1cccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C25H24F3N.C24H21F6N2.C23H23N.C22H23N2.C16H11N2.C15H11N3.2C12H9N4.2C7H5NO4.4Ir.Re/c1-17-9-11-18(12-10-17)23(2,3)21-7-6-8-22(29-21)24(4,5)19-13-15-20(16-14-19)25(26,27)28;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;1-22(2,18-12-7-5-8-13-18)20-16-11-17-21(24-20)23(3,4)19-14-9-6-10-15-19;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;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;2*1-4-11(15-8-2-6-13-15)10-12(5-1)16-9-3-7-14-16;2*9-6(10)4-2-1-3-5(8-4)7(11)12;;;;;/h6-11,13,15-16H,1-5H3;5-12,14H,1-4H3;5-12,14,16-17H,1-4H3;5-15H,1-4H3;2*1-11H;2*1-9H;2*1-3H,(H,9,10)(H,11,12);;;;;/q-2;-1;-2;2*-1;;2*-1;;;;;2*+3;
InChIKeyZLOOWYWBMLOSAZ-UHFFFAOYSA-N
XLogP35.37
TPSA388.05 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms206
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003648.12
LogP ≤ 535.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2,6-bis(2-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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 157453449) is 2,6-bis(2-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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-]cccc1)c1cccc(C(C)(C)c2[c-]cccc2)n1.CC(C)(c1ccccn1)c1[c-]c(C(C)(C)c2ccccn2)c(C(F)(F)F)cc1C(F)(F)F.Cc1c[c-]c(C(C)(C)c2cccc(C(C)(C)c3[c-]cc(C(F)(F)F)cc3)n2)cc1.O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1cccc(C(=O)O)n1.[Ir+3].[Ir+3].[Ir].[Ir].[Re].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-n2cccn2)cccc1-n1cccn1.[c-]1c(-n2cccn2)cccc1-n1cccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2,6-bis(2-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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 ZLOOWYWBMLOSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N.C24H21F6N2.C23H23N.C22H23N2.C16H11N2.C15H11N3.2C12H9N4.2C7H5NO4.4Ir.Re/c1-17-9-11-18(12-10-17)23(2,3)21-7-6-8-22(29-21)24(4,5)19-13-15-20(16-14-19)25(26,27)28;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;1-22(2,18-12-7-5-8-13-18)20-16-11-17-21(24-20)23(3,4)19-14-9-6-10-15-19;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;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;2*1-4-11(15-8-2-6-13-15)10-12(5-1)16-9-3-7-14-16;2*9-6(10)4-2-1-3-5(8-4)7(11)12;;;;;/h6-11,13,15-16H,1-5H3;5-12,14H,1-4H3;5-12,14,16-17H,1-4H3;5-15H,1-4H3;2*1-11H;2*1-9H;2*1-3H,(H,9,10)(H,11,12);;;;;/q-2;-1;-2;2*-1;;2*-1;;;;;2*+3;.
What are the key properties of 2,6-bis(2-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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 3648.12 g/mol, XLogP of 35.37, 28 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(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 157453449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).