2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole

C139H120F2Ir6N15OS-11 — CID 159168129

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole

2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole (PubChem CID 159168129) has the molecular formula C139H120F2Ir6N15OS-11 and a molecular weight of 3239.96 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole
• PubChem CID: 159168129
• Molecular Formula: C139H120F2Ir6N15OS-11
• Molecular Weight: 3239.96 g/mol
• Exact Mass: 3242.73
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole
• SMILES: C=CCc1c[c-]c(-c2nccn2C)cc1.C=CCc1c[c-]c(-n2cc(-c3ccccc3)cn2)cc1.C=CCc1ccc(-c2cc[c-]c(N3[CH-]N(C)c4ccccc43)c2)cc1.C=CCc1ccc2c(c1)C(C)(C)c1cc(-n3cccn3)[c-]cc1-2.C=COc1ccnc(-c2[c-]cc(F)cc2F)c1.C=CSc1ccc2c(c1)C(C)(C)c1cc(N3C=CN(C)[CH-]3)[c-]cc1-2.CN1[CH-]N(c2[c-]ccc(-c3ccccc3)c2)c2ccccc21.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H20N2.C21H20N2S.C21H19N2.C20H16N2.C18H15N2.C13H8F2NO.C13H13N2.C10H9N2.6Ir/c1-3-7-18-12-14-19(15-13-18)20-8-6-9-21(16-20)25-17-24(2)22-10-4-5-11-23(22)25;1-5-24-16-7-9-18-17-8-6-15(23-11-10-22(4)14-23)12-19(17)21(2,3)20(18)13-16;1-4-6-15-7-9-17-18-10-8-16(23-12-5-11-22-23)14-20(18)21(2,3)19(17)13-15;1-21-15-22(20-13-6-5-12-19(20)21)18-11-7-10-17(14-18)16-8-3-2-4-9-16;1-2-6-15-9-11-18(12-10-15)20-14-17(13-19-20)16-7-4-3-5-8-16;1-2-17-10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-3-4-11-5-7-12(8-6-11)13-14-9-10-15(13)2;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;;/h3-6,8,10-17H,1,7H2,2H3;5,7-14H,1H2,2-4H3;4-5,7,9-14H,1,6H2,2-3H3;2-10,12-15H,1H3;2-5,7-11,13-14H,1,6H2;2-3,5-8H,1H2;3,5-7,9-10H,1,4H2,2H3;2-5,7-8H,1H3;;;;;;/q2*-2;-1;-2;4*-1
• InChIKey: PZKZIIDKKBHSOE-UHFFFAOYSA-N
• XLogP: 32.43
• TPSA: 112.84 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3239.96
LogP ≤ 5	32.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole (CID 159168129) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole is C=CCc1c[c-]c(-c2nccn2C)cc1.C=CCc1c[c-]c(-n2cc(-c3ccccc3)cn2)cc1.C=CCc1ccc(-c2cc[c-]c(N3[CH-]N(C)c4ccccc43)c2)cc1.C=CCc1ccc2c(c1)C(C)(C)c1cc(-n3cccn3)[c-]cc1-2.C=COc1ccnc(-c2[c-]cc(F)cc2F)c1.C=CSc1ccc2c(c1)C(C)(C)c1cc(N3C=CN(C)[CH-]3)[c-]cc1-2.CN1[CH-]N(c2[c-]ccc(-c3ccccc3)c2)c2ccccc21.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole?

The InChIKey is PZKZIIDKKBHSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2.C21H20N2S.C21H19N2.C20H16N2.C18H15N2.C13H8F2NO.C13H13N2.C10H9N2.6Ir/c1-3-7-18-12-14-19(15-13-18)20-8-6-9-21(16-20)25-17-24(2)22-10-4-5-11-23(22)25;1-5-24-16-7-9-18-17-8-6-15(23-11-10-22(4)14-23)12-19(17)21(2,3)20(18)13-16;1-4-6-15-7-9-17-18-10-8-16(23-12-5-11-22-23)14-20(18)21(2,3)19(17)13-15;1-21-15-22(20-13-6-5-12-19(20)21)18-11-7-10-17(14-18)16-8-3-2-4-9-16;1-2-6-15-9-11-18(12-10-15)20-14-17(13-19-20)16-7-4-3-5-8-16;1-2-17-10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-3-4-11-5-7-12(8-6-11)13-14-9-10-15(13)2;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;;/h3-6,8,10-17H,1,7H2,2H3;5,7-14H,1H2,2-4H3;4-5,7,9-14H,1,6H2,2-3H3;2-10,12-15H,1H3;2-5,7-11,13-14H,1,6H2;2-3,5-8H,1H2;3,5-7,9-10H,1,4H2,2H3;2-5,7-8H,1H3;;;;;;/q2*-2;-1;-2;4*-1;;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole?

2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole has a molecular weight of 3239.96 g/mol, XLogP of 32.43, 23 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole is sourced from PubChem (CID 159168129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).