4-cyclohexyl-2-pyrazol-2-id-3-ylpyridine;3-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-1,2-benzoxazole;4,5-dimethyl-2-phenylpyridine;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);iridium(3+);4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzoxazole;1-phenylisoquinoline;3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole

C191H149Ir5N18O5S-8 — CID 157371566

About 4-cyclohexyl-2-pyrazol-2-id-3-ylpyridine;3-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-1,2-benzoxazole;4,5-dimethyl-2-phenylpyridine;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);iridium(3+);4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzoxazole;1-phenylisoquinoline;3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole

4-cyclohexyl-2-pyrazol-2-id-3-ylpyridine;3-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-1,2-benzoxazole;4,5-dimethyl-2-phenylpyridine;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);iridium(3+);4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzoxazole;1-phenylisoquinoline;3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole (PubChem CID 157371566) has the molecular formula C191H149Ir5N18O5S-8 and a molecular weight of 3769.57 g/mol. Its IUPAC name is 4-cyclohexyl-2-pyrazol-2-id-3-ylpyridine;3-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-1,2-benzoxazole;4,5-dimethyl-2-phenylpyridine;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);iridium(3+);4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzoxazole;1-phenylisoquinoline;3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole.

Molecular Properties

• Compound Name: 4-cyclohexyl-2-pyrazol-2-id-3-ylpyridine;3-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-1,2-benzoxazole;4,5-dimethyl-2-phenylpyridine;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);iridium(3+);4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzoxazole;1-phenylisoquinoline;3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole
• PubChem CID: 157371566
• Molecular Formula: C191H149Ir5N18O5S-8
• Molecular Weight: 3769.57 g/mol
• Exact Mass: 3770.99
• IUPAC Name: 4-cyclohexyl-2-pyrazol-2-id-3-ylpyridine;3-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-1,2-benzoxazole;4,5-dimethyl-2-phenylpyridine;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);iridium(3+);4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzoxazole;1-phenylisoquinoline;3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole
• SMILES: CC(C)c1cc(C(C)C)c2c(-c3[c-]cccc3)noc2c1.CC(C)c1cc(C(C)C)c2c(-c3[c-]cccc3)nsc2c1.CN1C=CN(c2[c-]ccc(-c3ccncc3)c2)[CH-]1.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir+3].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc3c2oc2ccccc23)cc1-c1noc2ccccc12.[c-]1ccc2c(c1-c1ccccn1)C(c1ccccn1)(c1ccccn1)c1ccccc1-2.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1noc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc12.[c-]1ncccc1-c1noc2ccccc12.c1cc(-c2cc(C3CCCCC3)ccn2)[n-]n1
• InChI: InChI=1S/C31H19N2O.C28H18N3.C25H14NO2.C19H20NO.C19H20NS.C15H13N3.C15H10N.C14H16N3.C13H12N.C12H7N2O.5Ir/c1-3-9-21(10-4-1)31-27-20-23(16-18-30(27)34-32-31)22-15-17-29-26(19-22)25-13-7-8-14-28(25)33(29)24-11-5-2-6-12-24;1-2-13-23-20(10-1)21-11-9-12-22(24-14-3-6-17-29-24)27(21)28(23,25-15-4-7-18-30-25)26-16-5-8-19-31-26;1-3-13-22-19(9-1)20-12-6-11-18(25(20)27-22)16-7-5-8-17(15-16)24-21-10-2-4-14-23(21)28-26-24;2*1-12(2)15-10-16(13(3)4)18-17(11-15)21-20-19(18)14-8-6-5-7-9-14;1-17-9-10-18(12-17)15-4-2-3-14(11-15)13-5-7-16-8-6-13;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-4-11(5-3-1)12-6-8-15-14(10-12)13-7-9-16-17-13;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;;;;;/h1-9,11-20H;1-11,13-19H;1-7,9-15H;2*5-8,10-13H,1-4H3;2-3,5-12H,1H3;1-7,9-11H;6-11H,1-5H2;3-6,8-9H,1-2H3;1-7H;;;;;/q5*-1;-2;4*-1;;;;;+3
• InChIKey: BDOXHFPSCXGNMT-UHFFFAOYSA-N
• XLogP: 47.76
• TPSA: 271.67 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3769.57
LogP ≤ 5	47.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-pyrazol-2-id-3-ylpyridine;3-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-1,2-benzoxazole;4,5-dimethyl-2-phenylpyridine;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);iridium(3+);4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzoxazole;1-phenylisoquinoline;3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole?

The IUPAC name of 4-cyclohexyl-2-pyrazol-2-id-3-ylpyridine;3-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-1,2-benzoxazole;4,5-dimethyl-2-phenylpyridine;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);iridium(3+);4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzoxazole;1-phenylisoquinoline;3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole (CID 157371566) is 4-cyclohexyl-2-pyrazol-2-id-3-ylpyridine;3-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-1,2-benzoxazole;4,5-dimethyl-2-phenylpyridine;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);iridium(3+);4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzoxazole;1-phenylisoquinoline;3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole.

What is the SMILES notation for 4-cyclohexyl-2-pyrazol-2-id-3-ylpyridine;3-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-1,2-benzoxazole;4,5-dimethyl-2-phenylpyridine;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);iridium(3+);4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzoxazole;1-phenylisoquinoline;3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole?

The canonical SMILES for 4-cyclohexyl-2-pyrazol-2-id-3-ylpyridine;3-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-1,2-benzoxazole;4,5-dimethyl-2-phenylpyridine;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);iridium(3+);4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzoxazole;1-phenylisoquinoline;3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole is CC(C)c1cc(C(C)C)c2c(-c3[c-]cccc3)noc2c1.CC(C)c1cc(C(C)C)c2c(-c3[c-]cccc3)nsc2c1.CN1C=CN(c2[c-]ccc(-c3ccncc3)c2)[CH-]1.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir+3].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc3c2oc2ccccc23)cc1-c1noc2ccccc12.[c-]1ccc2c(c1-c1ccccn1)C(c1ccccn1)(c1ccccn1)c1ccccc1-2.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1noc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc12.[c-]1ncccc1-c1noc2ccccc12.c1cc(-c2cc(C3CCCCC3)ccn2)[n-]n1.

What is the InChIKey of 4-cyclohexyl-2-pyrazol-2-id-3-ylpyridine;3-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-1,2-benzoxazole;4,5-dimethyl-2-phenylpyridine;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);iridium(3+);4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzoxazole;1-phenylisoquinoline;3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole?

The InChIKey is BDOXHFPSCXGNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N2O.C28H18N3.C25H14NO2.C19H20NO.C19H20NS.C15H13N3.C15H10N.C14H16N3.C13H12N.C12H7N2O.5Ir/c1-3-9-21(10-4-1)31-27-20-23(16-18-30(27)34-32-31)22-15-17-29-26(19-22)25-13-7-8-14-28(25)33(29)24-11-5-2-6-12-24;1-2-13-23-20(10-1)21-11-9-12-22(24-14-3-6-17-29-24)27(21)28(23,25-15-4-7-18-30-25)26-16-5-8-19-31-26;1-3-13-22-19(9-1)20-12-6-11-18(25(20)27-22)16-7-5-8-17(15-16)24-21-10-2-4-14-23(21)28-26-24;2*1-12(2)15-10-16(13(3)4)18-17(11-15)21-20-19(18)14-8-6-5-7-9-14;1-17-9-10-18(12-17)15-4-2-3-14(11-15)13-5-7-16-8-6-13;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-4-11(5-3-1)12-6-8-15-14(10-12)13-7-9-16-17-13;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;;;;;/h1-9,11-20H;1-11,13-19H;1-7,9-15H;2*5-8,10-13H,1-4H3;2-3,5-12H,1H3;1-7,9-11H;6-11H,1-5H2;3-6,8-9H,1-2H3;1-7H;;;;;/q5*-1;-2;4*-1;;;;;+3.

What are the key properties of 4-cyclohexyl-2-pyrazol-2-id-3-ylpyridine;3-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-1,2-benzoxazole;4,5-dimethyl-2-phenylpyridine;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);iridium(3+);4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzoxazole;1-phenylisoquinoline;3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole?

4-cyclohexyl-2-pyrazol-2-id-3-ylpyridine;3-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-1,2-benzoxazole;4,5-dimethyl-2-phenylpyridine;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);iridium(3+);4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzoxazole;1-phenylisoquinoline;3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole has a molecular weight of 3769.57 g/mol, XLogP of 47.76, 21 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-2-pyrazol-2-id-3-ylpyridine;3-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-1,2-benzoxazole;4,5-dimethyl-2-phenylpyridine;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);iridium(3+);4-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]pyridine;3-phenyl-4,6-di(propan-2-yl)-1,2-benzothiazole;3-phenyl-4,6-di(propan-2-yl)-1,2-benzoxazole;1-phenylisoquinoline;3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole is sourced from PubChem (CID 157371566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).