1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine

C80H69F5Ir5N12-6 — CID 159522363

IUPAC1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine
SMILESCc1c[c-]c(-n2nccc2-c2ccccc2)cc1.Cc1c[c-]n(-c2ccccn2)n1.Cc1cccc(C)c1-c1cnc(-c2[c-]cc(C(F)(F)F)cc2)n1C.Cc1cnc(-c2[c-]cccc2)n1C1CCCCC1.Fc1c[c-]c(-n2cccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H16F3N2.C16H19N2.C16H13N2.C11H8N.C9H5F2N2.C9H8N3.5Ir/c1-12-5-4-6-13(2)17(12)16-11-23-18(24(16)3)14-7-9-15(10-8-14)19(20,21)22;1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;1-13-7-9-15(10-8-13)18-16(11-12-17-18)14-5-3-2-4-6-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;1-8-5-7-12(11-8)9-4-2-3-6-10-9;;;;;/h4-7,9-11H,1-3H3;2,4-5,8,12,15H,3,6-7,10-11H2,1H3;2-9,11-12H,1H3;1-6,8-9H;1-2,4-6H;2-6H,1H3;;;;;/q6*-1;;;;;
InChIKeyNVOSEWNTUSXVRJ-UHFFFAOYSA-N
MW2254.59 g/mol
LogP18.86
Rot. Bonds9

About 1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine

1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine (PubChem CID 159522363) has the molecular formula C80H69F5Ir5N12-6 and a molecular weight of 2254.59 g/mol. Its IUPAC name is 1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine.

Molecular Properties

Compound Name1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine
PubChem CID159522363
Molecular FormulaC80H69F5Ir5N12-6
Molecular Weight2254.59 g/mol
Exact Mass2257.39
IUPAC Name1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine
SMILESCc1c[c-]c(-n2nccc2-c2ccccc2)cc1.Cc1c[c-]n(-c2ccccn2)n1.Cc1cccc(C)c1-c1cnc(-c2[c-]cc(C(F)(F)F)cc2)n1C.Cc1cnc(-c2[c-]cccc2)n1C1CCCCC1.Fc1c[c-]c(-n2cccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H16F3N2.C16H19N2.C16H13N2.C11H8N.C9H5F2N2.C9H8N3.5Ir/c1-12-5-4-6-13(2)17(12)16-11-23-18(24(16)3)14-7-9-15(10-8-14)19(20,21)22;1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;1-13-7-9-15(10-8-13)18-16(11-12-17-18)14-5-3-2-4-6-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;1-8-5-7-12(11-8)9-4-2-3-6-10-9;;;;;/h4-7,9-11H,1-3H3;2,4-5,8,12,15H,3,6-7,10-11H2,1H3;2-9,11-12H,1H3;1-6,8-9H;1-2,4-6H;2-6H,1H3;;;;;/q6*-1;;;;;
InChIKeyNVOSEWNTUSXVRJ-UHFFFAOYSA-N
XLogP18.86
TPSA114.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002254.59
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine with MolForge

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Related Compounds

6-fluoro-5-[1-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 155541201
US10189840, Example 40
CID 122551670
Platinum(2+);3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)pyrazol-1-ide;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
CID 168346600
2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3,3a,5,6,7,7a,8,8a-octahydro-1H-pyrrolo[3,4-b]pyrrolizine
CID 23548215
3-[Difluoro-[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 44552657
3-[Difluoro-[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 44555058
bis(1-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine
CID 57738279
bis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738331
bis(1-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738368
iridium;bis(1-methyl-4,5-diphenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738484
iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(1,4,5-trimethyl-3-(10H-phenanthren-10-id-9-yl)-2H-imidazol-1-ium-2-ide)
CID 57738512
bis(1-(2,4-difluorobenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738574

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine?
The IUPAC name of 1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine (CID 159522363) is 1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine.
What is the SMILES notation for 1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine?
The canonical SMILES for 1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine is Cc1c[c-]c(-n2nccc2-c2ccccc2)cc1.Cc1c[c-]n(-c2ccccn2)n1.Cc1cccc(C)c1-c1cnc(-c2[c-]cc(C(F)(F)F)cc2)n1C.Cc1cnc(-c2[c-]cccc2)n1C1CCCCC1.Fc1c[c-]c(-n2cccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine?
The InChIKey is NVOSEWNTUSXVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N2.C16H19N2.C16H13N2.C11H8N.C9H5F2N2.C9H8N3.5Ir/c1-12-5-4-6-13(2)17(12)16-11-23-18(24(16)3)14-7-9-15(10-8-14)19(20,21)22;1-13-12-17-16(14-8-4-2-5-9-14)18(13)15-10-6-3-7-11-15;1-13-7-9-15(10-8-13)18-16(11-12-17-18)14-5-3-2-4-6-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;1-8-5-7-12(11-8)9-4-2-3-6-10-9;;;;;/h4-7,9-11H,1-3H3;2,4-5,8,12,15H,3,6-7,10-11H2,1H3;2-9,11-12H,1H3;1-6,8-9H;1-2,4-6H;2-6H,1H3;;;;;/q6*-1;;;;;.
What are the key properties of 1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine?
1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine has a molecular weight of 2254.59 g/mol, XLogP of 18.86, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;2-phenylpyridine is sourced from PubChem (CID 159522363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).