2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole

C186H152F4Ir8N21O3S-15 — CID 158091552

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole
SMILESC=Cc1c[c-]c(-c2nccn2C)cc1.C=Cc1c[c-]c(-n2cc(-c3ccccc3)cn2)cc1.C=Cc1ccc(-c2cc[c-]c(N3[CH-]N(C)c4ccccc43)c2)cc1.C=Cc1ccc2c(c1)C(C)(C)c1cc(-n3cccn3)[c-]cc1-2.C=Cc1ccc2c(c1)C(C)(C)c1cc(N3C=CN(C)[CH-]3)[c-]cc1-2.CC1(C)c2cc(-n3cccn3)[c-]cc2-c2ccc(C3CO3)cc21.CN1C=CN(c2[c-]cc3c(c2)C(C)(C)c2cc(C4CO4)ccc2-3)[CH-]1.CN1[CH-]N(c2[c-]ccc(-c3ccccc3)c2)c2ccccc21.Cn1ccnc1-c1[c-]cccc1.Fc1c[c-]c(-c2cc(N=C=S)ccn2)c(F)c1.Oc1ccnc(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C22H18N2.C21H20N2O.C21H20N2.C20H17N2O.C20H17N2.C20H16N2.C17H13N2.C12H5F2N2S.C12H11N2.C11H6F2NO.C10H9N2.8Ir/c1-3-17-11-13-18(14-12-17)19-7-6-8-20(15-19)24-16-23(2)21-9-4-5-10-22(21)24;1-21(2)18-10-14(20-12-24-20)4-6-16(18)17-7-5-15(11-19(17)21)23-9-8-22(3)13-23;1-5-15-6-8-17-18-9-7-16(23-11-10-22(4)14-23)13-20(18)21(2,3)19(17)12-15;1-20(2)17-10-13(19-12-23-19)4-6-15(17)16-7-5-14(11-18(16)20)22-9-3-8-21-22;1-4-14-6-8-16-17-9-7-15(22-11-5-10-21-22)13-19(17)20(2,3)18(16)12-14;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;1-2-14-8-10-17(11-9-14)19-13-16(12-18-19)15-6-4-3-5-7-15;13-8-1-2-10(11(14)5-8)12-6-9(16-7-17)3-4-15-12;1-3-10-4-6-11(7-5-10)12-13-8-9-14(12)2;12-7-1-2-9(10(13)5-7)11-6-8(15)3-4-14-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;;;;/h3-7,9-16H,1H2,2H3;4,6-11,13,20H,12H2,1-3H3;5-6,8-14H,1H2,2-4H3;3-4,6-11,19H,12H2,1-2H3;4-6,8-13H,1H2,2-3H3;2-10,12-15H,1H3;2-10,12-13H,1H2;1,3-6H;3-6,8-9H,1H2,2H3;1,3-6H,(H,14,15);2-5,7-8H,1H3;;;;;;;;/q3*-2;2*-1;-2;5*-1;;;;;;;;
InChIKeyDQUGHGPCKIJHMG-UHFFFAOYSA-N
MW4375.20 g/mol
LogP42.50
Rot. Bonds22

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole

2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole (PubChem CID 158091552) has the molecular formula C186H152F4Ir8N21O3S-15 and a molecular weight of 4375.20 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole.

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole
PubChem CID158091552
Molecular FormulaC186H152F4Ir8N21O3S-15
Molecular Weight4375.20 g/mol
Exact Mass4378.92
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole
SMILESC=Cc1c[c-]c(-c2nccn2C)cc1.C=Cc1c[c-]c(-n2cc(-c3ccccc3)cn2)cc1.C=Cc1ccc(-c2cc[c-]c(N3[CH-]N(C)c4ccccc43)c2)cc1.C=Cc1ccc2c(c1)C(C)(C)c1cc(-n3cccn3)[c-]cc1-2.C=Cc1ccc2c(c1)C(C)(C)c1cc(N3C=CN(C)[CH-]3)[c-]cc1-2.CC1(C)c2cc(-n3cccn3)[c-]cc2-c2ccc(C3CO3)cc21.CN1C=CN(c2[c-]cc3c(c2)C(C)(C)c2cc(C4CO4)ccc2-3)[CH-]1.CN1[CH-]N(c2[c-]ccc(-c3ccccc3)c2)c2ccccc21.Cn1ccnc1-c1[c-]cccc1.Fc1c[c-]c(-c2cc(N=C=S)ccn2)c(F)c1.Oc1ccnc(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C22H18N2.C21H20N2O.C21H20N2.C20H17N2O.C20H17N2.C20H16N2.C17H13N2.C12H5F2N2S.C12H11N2.C11H6F2NO.C10H9N2.8Ir/c1-3-17-11-13-18(14-12-17)19-7-6-8-20(15-19)24-16-23(2)21-9-4-5-10-22(21)24;1-21(2)18-10-14(20-12-24-20)4-6-16(18)17-7-5-15(11-19(17)21)23-9-8-22(3)13-23;1-5-15-6-8-17-18-9-7-16(23-11-10-22(4)14-23)13-20(18)21(2,3)19(17)12-15;1-20(2)17-10-13(19-12-23-19)4-6-15(17)16-7-5-14(11-18(16)20)22-9-3-8-21-22;1-4-14-6-8-16-17-9-7-15(22-11-5-10-21-22)13-19(17)20(2,3)18(16)12-14;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;1-2-14-8-10-17(11-9-14)19-13-16(12-18-19)15-6-4-3-5-7-15;13-8-1-2-10(11(14)5-8)12-6-9(16-7-17)3-4-15-12;1-3-10-4-6-11(7-5-10)12-13-8-9-14(12)2;12-7-1-2-9(10(13)5-7)11-6-8(15)3-4-14-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;;;;/h3-7,9-16H,1H2,2H3;4,6-11,13,20H,12H2,1-3H3;5-6,8-14H,1H2,2-4H3;3-4,6-11,19H,12H2,1-2H3;4-6,8-13H,1H2,2-3H3;2-10,12-15H,1H3;2-10,12-13H,1H2;1,3-6H;3-6,8-9H,1H2,2H3;1,3-6H,(H,14,15);2-5,7-8H,1H3;;;;;;;;/q3*-2;2*-1;-2;5*-1;;;;;;;;
InChIKeyDQUGHGPCKIJHMG-UHFFFAOYSA-N
XLogP42.50
TPSA198.45 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004375.20
LogP ≤ 542.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole (CID 158091552) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole.
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole is C=Cc1c[c-]c(-c2nccn2C)cc1.C=Cc1c[c-]c(-n2cc(-c3ccccc3)cn2)cc1.C=Cc1ccc(-c2cc[c-]c(N3[CH-]N(C)c4ccccc43)c2)cc1.C=Cc1ccc2c(c1)C(C)(C)c1cc(-n3cccn3)[c-]cc1-2.C=Cc1ccc2c(c1)C(C)(C)c1cc(N3C=CN(C)[CH-]3)[c-]cc1-2.CC1(C)c2cc(-n3cccn3)[c-]cc2-c2ccc(C3CO3)cc21.CN1C=CN(c2[c-]cc3c(c2)C(C)(C)c2cc(C4CO4)ccc2-3)[CH-]1.CN1[CH-]N(c2[c-]ccc(-c3ccccc3)c2)c2ccccc21.Cn1ccnc1-c1[c-]cccc1.Fc1c[c-]c(-c2cc(N=C=S)ccn2)c(F)c1.Oc1ccnc(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole?
The InChIKey is DQUGHGPCKIJHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2.C21H20N2O.C21H20N2.C20H17N2O.C20H17N2.C20H16N2.C17H13N2.C12H5F2N2S.C12H11N2.C11H6F2NO.C10H9N2.8Ir/c1-3-17-11-13-18(14-12-17)19-7-6-8-20(15-19)24-16-23(2)21-9-4-5-10-22(21)24;1-21(2)18-10-14(20-12-24-20)4-6-16(18)17-7-5-15(11-19(17)21)23-9-8-22(3)13-23;1-5-15-6-8-17-18-9-7-16(23-11-10-22(4)14-23)13-20(18)21(2,3)19(17)12-15;1-20(2)17-10-13(19-12-23-19)4-6-15(17)16-7-5-14(11-18(16)20)22-9-3-8-21-22;1-4-14-6-8-16-17-9-7-15(22-11-5-10-21-22)13-19(17)20(2,3)18(16)12-14;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;1-2-14-8-10-17(11-9-14)19-13-16(12-18-19)15-6-4-3-5-7-15;13-8-1-2-10(11(14)5-8)12-6-9(16-7-17)3-4-15-12;1-3-10-4-6-11(7-5-10)12-13-8-9-14(12)2;12-7-1-2-9(10(13)5-7)11-6-8(15)3-4-14-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;;;;/h3-7,9-16H,1H2,2H3;4,6-11,13,20H,12H2,1-3H3;5-6,8-14H,1H2,2-4H3;3-4,6-11,19H,12H2,1-2H3;4-6,8-13H,1H2,2-3H3;2-10,12-15H,1H3;2-10,12-13H,1H2;1,3-6H;3-6,8-9H,1H2,2H3;1,3-6H,(H,14,15);2-5,7-8H,1H3;;;;;;;;/q3*-2;2*-1;-2;5*-1;;;;;;;;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole?
2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole has a molecular weight of 4375.20 g/mol, XLogP of 42.50, 22 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-isothiocyanatopyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridin-4-ol;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]-3-methyl-2H-imidazol-2-ide;1-[9,9-dimethyl-7-(oxiran-2-yl)-3H-fluoren-3-id-2-yl]pyrazole;2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;1-(4-ethenylbenzene-6-id-1-yl)-4-phenylpyrazole;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;1-(7-ethenyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;1-[3-(4-ethenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;octakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole is sourced from PubChem (CID 158091552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).