2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;2,6-di(phenyl)pyridine;2-[2-(2-hydroxyphenyl)-3,6-dihydropyrrolo[3,2-g]indol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-e][1,3]benzothiazol-7-yl]phenol;bis(iridium(3+));platinum;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole

C172H118F4Ir2N18O6Pt3S2 — CID 158488953

About 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;2,6-di(phenyl)pyridine;2-[2-(2-hydroxyphenyl)-3,6-dihydropyrrolo[3,2-g]indol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-e][1,3]benzothiazol-7-yl]phenol;bis(iridium(3+));platinum;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole

2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;2,6-di(phenyl)pyridine;2-[2-(2-hydroxyphenyl)-3,6-dihydropyrrolo[3,2-g]indol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-e][1,3]benzothiazol-7-yl]phenol;bis(iridium(3+));platinum;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole (PubChem CID 158488953) has the molecular formula C172H118F4Ir2N18O6Pt3S2 and a molecular weight of 3642.75 g/mol. Its IUPAC name is 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;2,6-di(phenyl)pyridine;2-[2-(2-hydroxyphenyl)-3,6-dihydropyrrolo[3,2-g]indol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-e][1,3]benzothiazol-7-yl]phenol;bis(iridium(3+));platinum;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole.

Molecular Properties

• Compound Name: 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;2,6-di(phenyl)pyridine;2-[2-(2-hydroxyphenyl)-3,6-dihydropyrrolo[3,2-g]indol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-e][1,3]benzothiazol-7-yl]phenol;bis(iridium(3+));platinum;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole
• PubChem CID: 158488953
• Molecular Formula: C172H118F4Ir2N18O6Pt3S2
• Molecular Weight: 3642.75 g/mol
• Exact Mass: 3641.71
• IUPAC Name: 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;2,6-di(phenyl)pyridine;2-[2-(2-hydroxyphenyl)-3,6-dihydropyrrolo[3,2-g]indol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-e][1,3]benzothiazol-7-yl]phenol;bis(iridium(3+));platinum;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole
• SMILES: Cc1cc(C)n(-c2[c-]c(-n3nc(C)cc3C)ccc2)n1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Oc1ccccc1-c1nc2c(ccc3sc(-c4ccccc4O)nc32)s1.Oc1ccccc1-c1nc2c3nc(-c4ccccc4O)n(-c4ccccc4)c3ccc2n1-c1ccccc1.Oc1ccccc1C1=Nc2c(ccc3c2N=C(c2ccccc2O)C3)C1.[Ir+3].[Ir+3].[Pt].[Pt].[Pt].[c-]1c(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
• InChI: InChI=1S/C48H33N4.C32H22N4O2.C22H16N2O2.C20H12N2O2S2.C17H7F4N.C17H11N.C16H17N4.2Ir.3Pt/c1-7-20-35(21-8-1)43-45(37-24-11-3-12-25-37)51(41-30-15-5-16-31-41)47(49-43)39-28-19-29-40(34-39)48-50-44(36-22-9-2-10-23-36)46(38-26-13-4-14-27-38)52(48)42-32-17-6-18-33-42;37-27-17-9-7-15-23(27)31-33-29-25(35(31)21-11-3-1-4-12-21)19-20-26-30(29)34-32(24-16-8-10-18-28(24)38)36(26)22-13-5-2-6-14-22;25-19-7-3-1-5-15(19)17-11-13-9-10-14-12-18(24-22(14)21(13)23-17)16-6-2-4-8-20(16)26;23-13-7-3-1-5-11(13)19-21-17-15(25-19)9-10-16-18(17)22-20(26-16)12-6-2-4-8-14(12)24;18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-11-8-13(3)19(17-11)15-6-5-7-16(10-15)20-14(4)9-12(2)18-20;;;;;/h1-33H;1-20,37-38H;1-10,25-26H,11-12H2;1-10,23-24H;1-5,8-9H;1-8,10,12-13H;5-9H,1-4H3;;;;;/q-1;;;;2*-2;-1;2*+3
• InChIKey: PJPLWTNMVFTDEY-UHFFFAOYSA-N
• XLogP: 40.74
• TPSA: 304.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3642.75
LogP ≤ 5	40.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;2,6-di(phenyl)pyridine;2-[2-(2-hydroxyphenyl)-3,6-dihydropyrrolo[3,2-g]indol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-e][1,3]benzothiazol-7-yl]phenol;bis(iridium(3+));platinum;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole?

The IUPAC name of 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;2,6-di(phenyl)pyridine;2-[2-(2-hydroxyphenyl)-3,6-dihydropyrrolo[3,2-g]indol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-e][1,3]benzothiazol-7-yl]phenol;bis(iridium(3+));platinum;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole (CID 158488953) is 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;2,6-di(phenyl)pyridine;2-[2-(2-hydroxyphenyl)-3,6-dihydropyrrolo[3,2-g]indol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-e][1,3]benzothiazol-7-yl]phenol;bis(iridium(3+));platinum;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole.

What is the SMILES notation for 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;2,6-di(phenyl)pyridine;2-[2-(2-hydroxyphenyl)-3,6-dihydropyrrolo[3,2-g]indol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-e][1,3]benzothiazol-7-yl]phenol;bis(iridium(3+));platinum;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole?

The canonical SMILES for 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;2,6-di(phenyl)pyridine;2-[2-(2-hydroxyphenyl)-3,6-dihydropyrrolo[3,2-g]indol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-e][1,3]benzothiazol-7-yl]phenol;bis(iridium(3+));platinum;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole is Cc1cc(C)n(-c2[c-]c(-n3nc(C)cc3C)ccc2)n1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Oc1ccccc1-c1nc2c(ccc3sc(-c4ccccc4O)nc32)s1.Oc1ccccc1-c1nc2c3nc(-c4ccccc4O)n(-c4ccccc4)c3ccc2n1-c1ccccc1.Oc1ccccc1C1=Nc2c(ccc3c2N=C(c2ccccc2O)C3)C1.[Ir+3].[Ir+3].[Pt].[Pt].[Pt].[c-]1c(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.

What is the InChIKey of 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;2,6-di(phenyl)pyridine;2-[2-(2-hydroxyphenyl)-3,6-dihydropyrrolo[3,2-g]indol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-e][1,3]benzothiazol-7-yl]phenol;bis(iridium(3+));platinum;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole?

The InChIKey is PJPLWTNMVFTDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N4.C32H22N4O2.C22H16N2O2.C20H12N2O2S2.C17H7F4N.C17H11N.C16H17N4.2Ir.3Pt/c1-7-20-35(21-8-1)43-45(37-24-11-3-12-25-37)51(41-30-15-5-16-31-41)47(49-43)39-28-19-29-40(34-39)48-50-44(36-22-9-2-10-23-36)46(38-26-13-4-14-27-38)52(48)42-32-17-6-18-33-42;37-27-17-9-7-15-23(27)31-33-29-25(35(31)21-11-3-1-4-12-21)19-20-26-30(29)34-32(24-16-8-10-18-28(24)38)36(26)22-13-5-2-6-14-22;25-19-7-3-1-5-15(19)17-11-13-9-10-14-12-18(24-22(14)21(13)23-17)16-6-2-4-8-20(16)26;23-13-7-3-1-5-11(13)19-21-17-15(25-19)9-10-16-18(17)22-20(26-16)12-6-2-4-8-14(12)24;18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-11-8-13(3)19(17-11)15-6-5-7-16(10-15)20-14(4)9-12(2)18-20;;;;;/h1-33H;1-20,37-38H;1-10,25-26H,11-12H2;1-10,23-24H;1-5,8-9H;1-8,10,12-13H;5-9H,1-4H3;;;;;/q-1;;;;2*-2;-1;2*+3;;;.

What are the key properties of 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;2,6-di(phenyl)pyridine;2-[2-(2-hydroxyphenyl)-3,6-dihydropyrrolo[3,2-g]indol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-e][1,3]benzothiazol-7-yl]phenol;bis(iridium(3+));platinum;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole?

2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;2,6-di(phenyl)pyridine;2-[2-(2-hydroxyphenyl)-3,6-dihydropyrrolo[3,2-g]indol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-e][1,3]benzothiazol-7-yl]phenol;bis(iridium(3+));platinum;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole has a molecular weight of 3642.75 g/mol, XLogP of 40.74, 22 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;2,6-di(phenyl)pyridine;2-[2-(2-hydroxyphenyl)-3,6-dihydropyrrolo[3,2-g]indol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-3,6-diphenylimidazo[4,5-e]benzimidazol-7-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-e][1,3]benzothiazol-7-yl]phenol;bis(iridium(3+));platinum;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole is sourced from PubChem (CID 158488953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).