2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole

C118H100F6Ir5N11O-7 — CID 159523419

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole
SMILESC=CCc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.C=CCc1cc[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)c1.C=CCc1ccc(-c2[c-]cc(F)cc2F)nc1.C=CCc1ccc2c(c1)C(C)(C)c1cc(-n3cccn3)[c-]cc1-2.C=COc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H19N2.C21H21N2.C20H19N2.C18H17N2.C14H10F2N.C13H8F2NO.C11H6F2N.5Ir/c1-4-6-15-7-9-17-18-10-8-16(23-12-5-11-22-23)14-20(18)21(2,3)19(17)13-15;1-5-7-18-8-6-9-19(14-18)21-22-10-11-23(21)20-16(3)12-15(2)13-17(20)4;1-4-8-17-13-15(2)19(16(3)14-17)22-12-11-21-20(22)18-9-6-5-7-10-18;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-2-3-10-4-7-14(17-9-10)12-6-5-11(15)8-13(12)16;1-2-17-10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;;/h4-5,7,9-14H,1,6H2,2-3H3;5-6,8,10-14H,1,7H2,2-4H3;4-7,9,11-14H,1,8H2,2-3H3;4-7,9-12H,1-3H3;2,4-5,7-9H,1,3H2;2-3,5-8H,1H2;1-4,6-7H;;;;;/q7*-1;;;;;
InChIKeyIXBXZVFMILLFNZ-UHFFFAOYSA-N
MW2763.25 g/mol
LogP28.37
Rot. Bonds20

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole

2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole (PubChem CID 159523419) has the molecular formula C118H100F6Ir5N11O-7 and a molecular weight of 2763.25 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole.

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole
PubChem CID159523419
Molecular FormulaC118H100F6Ir5N11O-7
Molecular Weight2763.25 g/mol
Exact Mass2765.62
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole
SMILESC=CCc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.C=CCc1cc[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)c1.C=CCc1ccc(-c2[c-]cc(F)cc2F)nc1.C=CCc1ccc2c(c1)C(C)(C)c1cc(-n3cccn3)[c-]cc1-2.C=COc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H19N2.C21H21N2.C20H19N2.C18H17N2.C14H10F2N.C13H8F2NO.C11H6F2N.5Ir/c1-4-6-15-7-9-17-18-10-8-16(23-12-5-11-22-23)14-20(18)21(2,3)19(17)13-15;1-5-7-18-8-6-9-19(14-18)21-22-10-11-23(21)20-16(3)12-15(2)13-17(20)4;1-4-8-17-13-15(2)19(16(3)14-17)22-12-11-21-20(22)18-9-6-5-7-10-18;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-2-3-10-4-7-14(17-9-10)12-6-5-11(15)8-13(12)16;1-2-17-10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;;/h4-5,7,9-14H,1,6H2,2-3H3;5-6,8,10-14H,1,7H2,2-4H3;4-7,9,11-14H,1,8H2,2-3H3;4-7,9-12H,1-3H3;2,4-5,7-9H,1,3H2;2-3,5-8H,1H2;1-4,6-7H;;;;;/q7*-1;;;;;
InChIKeyIXBXZVFMILLFNZ-UHFFFAOYSA-N
XLogP28.37
TPSA119.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002763.25
LogP ≤ 528.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole (CID 159523419) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole.
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole is C=CCc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.C=CCc1cc[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)c1.C=CCc1ccc(-c2[c-]cc(F)cc2F)nc1.C=CCc1ccc2c(c1)C(C)(C)c1cc(-n3cccn3)[c-]cc1-2.C=COc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole?
The InChIKey is IXBXZVFMILLFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N2.C21H21N2.C20H19N2.C18H17N2.C14H10F2N.C13H8F2NO.C11H6F2N.5Ir/c1-4-6-15-7-9-17-18-10-8-16(23-12-5-11-22-23)14-20(18)21(2,3)19(17)13-15;1-5-7-18-8-6-9-19(14-18)21-22-10-11-23(21)20-16(3)12-15(2)13-17(20)4;1-4-8-17-13-15(2)19(16(3)14-17)22-12-11-21-20(22)18-9-6-5-7-10-18;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-2-3-10-4-7-14(17-9-10)12-6-5-11(15)8-13(12)16;1-2-17-10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;;/h4-5,7,9-14H,1,6H2,2-3H3;5-6,8,10-14H,1,7H2,2-4H3;4-7,9,11-14H,1,8H2,2-3H3;4-7,9-12H,1-3H3;2,4-5,7-9H,1,3H2;2-3,5-8H,1H2;1-4,6-7H;;;;;/q7*-1;;;;;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole?
2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole has a molecular weight of 2763.25 g/mol, XLogP of 28.37, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-prop-2-enylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(2,6-dimethyl-4-prop-2-enylphenyl)-2-phenylimidazole;pentakis(iridium);2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-(3-prop-2-enylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole is sourced from PubChem (CID 159523419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).