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;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole

C179H122F4Ir3N21O4Pt2S2 — CID 161395551

IUPAC2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole
SMILESCc1cc(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.[Ir+3].[Ir+3].[Ir+3].[Pt].[Pt].[c-]1c(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1.[c-]1c(-n2cccn2)cccc1-n1cccn1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
InChIInChI=1S/C48H33N4.C32H22N4O2.C20H12N2O2S2.C17H7F4N.2C17H11N.C16H17N4.C12H9N4.3Ir.2Pt/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;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;2*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;1-4-11(15-8-2-6-13-15)10-12(5-1)16-9-3-7-14-16;;;;;/h1-33H;1-20,37-38H;1-10,23-24H;1-5,8-9H;2*1-8,10,12-13H;5-9H,1-4H3;1-9H;;;;;/q-1;;;3*-2;2*-1;3*+3;;
InChIKeyWNLNJCTVFIILHI-UHFFFAOYSA-N
MW3738.02 g/mol
LogP42.16
Rot. Bonds24

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;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;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;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole (PubChem CID 161395551) has the molecular formula C179H122F4Ir3N21O4Pt2S2 and a molecular weight of 3738.02 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;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole.

Molecular Properties

Compound Name2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole
PubChem CID161395551
Molecular FormulaC179H122F4Ir3N21O4Pt2S2
Molecular Weight3738.02 g/mol
Exact Mass3737.75
IUPAC Name2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-3,5-dimethylpyrazole;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole
SMILESCc1cc(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.[Ir+3].[Ir+3].[Ir+3].[Pt].[Pt].[c-]1c(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1.[c-]1c(-n2cccn2)cccc1-n1cccn1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
InChIInChI=1S/C48H33N4.C32H22N4O2.C20H12N2O2S2.C17H7F4N.2C17H11N.C16H17N4.C12H9N4.3Ir.2Pt/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;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;2*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;1-4-11(15-8-2-6-13-15)10-12(5-1)16-9-3-7-14-16;;;;;/h1-33H;1-20,37-38H;1-10,23-24H;1-5,8-9H;2*1-8,10,12-13H;5-9H,1-4H3;1-9H;;;;;/q-1;;;3*-2;2*-1;3*+3;;
InChIKeyWNLNJCTVFIILHI-UHFFFAOYSA-N
XLogP42.16
TPSA287.93 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms215
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003738.02
LogP ≤ 542.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 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;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole with MolForge

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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;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;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;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole (CID 161395551) 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;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;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;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;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;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;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.[Ir+3].[Ir+3].[Ir+3].[Pt].[Pt].[c-]1c(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1.[c-]1c(-n2cccn2)cccc1-n1cccn1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[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;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole?
The InChIKey is WNLNJCTVFIILHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N4.C32H22N4O2.C20H12N2O2S2.C17H7F4N.2C17H11N.C16H17N4.C12H9N4.3Ir.2Pt/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;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;2*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;1-4-11(15-8-2-6-13-15)10-12(5-1)16-9-3-7-14-16;;;;;/h1-33H;1-20,37-38H;1-10,23-24H;1-5,8-9H;2*1-8,10,12-13H;5-9H,1-4H3;1-9H;;;;;/q-1;;;3*-2;2*-1;3*+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;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;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;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole has a molecular weight of 3738.02 g/mol, XLogP of 42.16, 24 rotatable bonds, 4 hydrogen bond donors, and 27 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;bis(2,6-di(phenyl)pyridine);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;tris(iridium(3+));platinum;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;1,4,5-triphenyl-2-[3-(1,4,5-triphenylimidazol-2-yl)benzene-2-id-1-yl]imidazole is sourced from PubChem (CID 161395551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).