5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium)

C82H92CoF2IrN9Rh3-5 — CID 159502922

IUPAC5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium)
SMILESCC(C)(C)Cc1ccnc(-c2[c-]cc(F)c(F)n2)c1.CC(C)(C)Cc1cn(-c2ccccn2)[c-]n1.CC(C)CCc1cccc(-c2[c-]ccc(-c3ccccc3)c2)n1.CCC(C)c1ccc(C(C)(C)c2[c-]cccc2)nc1.CCC(C)c1cnc(-c2[c-]cccc2)n1C.[Co].[Ir].[Rh].[Rh].[Rh]
InChIInChI=1S/C22H22N.C18H22N.C15H15F2N2.C14H17N2.C13H16N3.Co.Ir.3Rh/c1-17(2)14-15-21-12-7-13-22(23-21)20-11-6-10-19(16-20)18-8-4-3-5-9-18;1-5-14(2)15-11-12-17(19-13-15)18(3,4)16-9-7-6-8-10-16;1-15(2,3)9-10-6-7-18-13(8-10)12-5-4-11(16)14(17)19-12;1-4-11(2)13-10-15-14(16(13)3)12-8-6-5-7-9-12;1-13(2,3)8-11-9-16(10-15-11)12-6-4-5-7-14-12;;;;;/h3-10,12-13,16-17H,14-15H2,1-2H3;6-9,11-14H,5H2,1-4H3;4,6-8H,9H2,1-3H3;5-8,10-11H,4H2,1-3H3;4-7,9H,8H2,1-3H3;;;;;/q5*-1;;;;;
InChIKeyWARBBMDTUQCDAB-UHFFFAOYSA-N
MW1801.56 g/mol
LogP20.38
Rot. Bonds16

About 5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium)

5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium) (PubChem CID 159502922) has the molecular formula C82H92CoF2IrN9Rh3-5 and a molecular weight of 1801.56 g/mol. Its IUPAC name is 5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium).

Molecular Properties

Compound Name5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium)
PubChem CID159502922
Molecular FormulaC82H92CoF2IrN9Rh3-5
Molecular Weight1801.56 g/mol
Exact Mass1801.36
IUPAC Name5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium)
SMILESCC(C)(C)Cc1ccnc(-c2[c-]cc(F)c(F)n2)c1.CC(C)(C)Cc1cn(-c2ccccn2)[c-]n1.CC(C)CCc1cccc(-c2[c-]ccc(-c3ccccc3)c2)n1.CCC(C)c1ccc(C(C)(C)c2[c-]cccc2)nc1.CCC(C)c1cnc(-c2[c-]cccc2)n1C.[Co].[Ir].[Rh].[Rh].[Rh]
InChIInChI=1S/C22H22N.C18H22N.C15H15F2N2.C14H17N2.C13H16N3.Co.Ir.3Rh/c1-17(2)14-15-21-12-7-13-22(23-21)20-11-6-10-19(16-20)18-8-4-3-5-9-18;1-5-14(2)15-11-12-17(19-13-15)18(3,4)16-9-7-6-8-10-16;1-15(2,3)9-10-6-7-18-13(8-10)12-5-4-11(16)14(17)19-12;1-4-11(2)13-10-15-14(16(13)3)12-8-6-5-7-9-12;1-13(2,3)8-11-9-16(10-15-11)12-6-4-5-7-14-12;;;;;/h3-10,12-13,16-17H,14-15H2,1-2H3;6-9,11-14H,5H2,1-4H3;4,6-8H,9H2,1-3H3;5-8,10-11H,4H2,1-3H3;4-7,9H,8H2,1-3H3;;;;;/q5*-1;;;;;
InChIKeyWARBBMDTUQCDAB-UHFFFAOYSA-N
XLogP20.38
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms98
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001801.56
LogP ≤ 520.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium)?
The IUPAC name of 5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium) (CID 159502922) is 5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium).
What is the SMILES notation for 5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium)?
The canonical SMILES for 5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium) is CC(C)(C)Cc1ccnc(-c2[c-]cc(F)c(F)n2)c1.CC(C)(C)Cc1cn(-c2ccccn2)[c-]n1.CC(C)CCc1cccc(-c2[c-]ccc(-c3ccccc3)c2)n1.CCC(C)c1ccc(C(C)(C)c2[c-]cccc2)nc1.CCC(C)c1cnc(-c2[c-]cccc2)n1C.[Co].[Ir].[Rh].[Rh].[Rh].
What is the InChIKey of 5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium)?
The InChIKey is WARBBMDTUQCDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N.C18H22N.C15H15F2N2.C14H17N2.C13H16N3.Co.Ir.3Rh/c1-17(2)14-15-21-12-7-13-22(23-21)20-11-6-10-19(16-20)18-8-4-3-5-9-18;1-5-14(2)15-11-12-17(19-13-15)18(3,4)16-9-7-6-8-10-16;1-15(2,3)9-10-6-7-18-13(8-10)12-5-4-11(16)14(17)19-12;1-4-11(2)13-10-15-14(16(13)3)12-8-6-5-7-9-12;1-13(2,3)8-11-9-16(10-15-11)12-6-4-5-7-14-12;;;;;/h3-10,12-13,16-17H,14-15H2,1-2H3;6-9,11-14H,5H2,1-4H3;4,6-8H,9H2,1-3H3;5-8,10-11H,4H2,1-3H3;4-7,9H,8H2,1-3H3;;;;;/q5*-1;;;;;.
What are the key properties of 5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium)?
5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium) has a molecular weight of 1801.56 g/mol, XLogP of 20.38, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-methyl-2-phenylimidazole;5-butan-2-yl-2-(2-phenylpropan-2-yl)pyridine;cobalt;2-[4-(2,2-dimethylpropyl)-2H-imidazol-2-id-1-yl]pyridine;2-[4-(2,2-dimethylpropyl)-2-pyridinyl]-5,6-difluoro-3H-pyridin-3-ide;iridium;2-(3-methylbutyl)-6-(3-phenylbenzene-6-id-1-yl)pyridine;tris(rhodium) is sourced from PubChem (CID 159502922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).