2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole

C141H107F3Ir4N14O5-8 — CID 158642842

About 2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole

2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole (PubChem CID 158642842) has the molecular formula C141H107F3Ir4N14O5-8 and a molecular weight of 2903.36 g/mol. Its IUPAC name is 2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole.

Molecular Properties

• Compound Name: 2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole
• PubChem CID: 158642842
• Molecular Formula: C141H107F3Ir4N14O5-8
• Molecular Weight: 2903.36 g/mol
• Exact Mass: 2904.71
• IUPAC Name: 2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole
• SMILES: CC(C)c1ccc(-c2cc[c-]c(-c3noc4ccccc34)c2)cc1.CCCCOc1cccc2c1C(C)(C)c1c(-c3ccccn3)[c-]ccc1-2.Cc1[c-]c(-c2ccccn2)c(C)c(C)c1C.FC(F)(F)c1c[c-]c(-c2noc3ccccc23)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1noc2ccccc12.[c-]1ccccc1-c1cc(-c2cccnc2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ncccc1-c1noc2ccncc12
• InChI: InChI=1S/C28H17N4O.C24H24NO.C22H18NO.C16H11N2.C15H16N.C14H7F3NO.C11H6N3O.C11H8N.4Ir/c1-3-10-19(11-4-1)26-29-27(20-12-5-2-6-13-20)31-28(30-26)22-15-9-14-21(18-22)25-23-16-7-8-17-24(23)33-32-25;1-4-5-16-26-21-14-9-11-18-17-10-8-12-19(20-13-6-7-15-25-20)22(17)24(2,3)23(18)21;1-15(2)16-10-12-17(13-11-16)18-6-5-7-19(14-18)22-20-8-3-4-9-21(20)24-23-22;1-2-5-13(6-3-1)16-11-14(8-10-18-16)15-7-4-9-17-12-15;1-10-9-14(13(4)12(3)11(10)2)15-7-5-6-8-16-15;15-14(16,17)10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)19-18-13;1-2-8(6-12-4-1)11-9-7-13-5-3-10(9)15-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-13,15-18H;6-11,13-15H,4-5,16H2,1-3H3;3-6,8-15H,1-2H3;1-5,7-12H;5-8H,1-4H3;1-5,7-8H;1-5,7H;1-6,8-9H;;;;/q8*-1
• InChIKey: LCYKGDWSXFLYPO-UHFFFAOYSA-N
• XLogP: 34.93
• TPSA: 242.25 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2903.36
LogP ≤ 5	34.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole?

The IUPAC name of 2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole (CID 158642842) is 2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole.

What is the SMILES notation for 2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole?

The canonical SMILES for 2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole is CC(C)c1ccc(-c2cc[c-]c(-c3noc4ccccc34)c2)cc1.CCCCOc1cccc2c1C(C)(C)c1c(-c3ccccn3)[c-]ccc1-2.Cc1[c-]c(-c2ccccn2)c(C)c(C)c1C.FC(F)(F)c1c[c-]c(-c2noc3ccccc23)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1noc2ccccc12.[c-]1ccccc1-c1cc(-c2cccnc2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ncccc1-c1noc2ccncc12.

What is the InChIKey of 2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole?

The InChIKey is LCYKGDWSXFLYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N4O.C24H24NO.C22H18NO.C16H11N2.C15H16N.C14H7F3NO.C11H6N3O.C11H8N.4Ir/c1-3-10-19(11-4-1)26-29-27(20-12-5-2-6-13-20)31-28(30-26)22-15-9-14-21(18-22)25-23-16-7-8-17-24(23)33-32-25;1-4-5-16-26-21-14-9-11-18-17-10-8-12-19(20-13-6-7-15-25-20)22(17)24(2,3)23(18)21;1-15(2)16-10-12-17(13-11-16)18-6-5-7-19(14-18)22-20-8-3-4-9-21(20)24-23-22;1-2-5-13(6-3-1)16-11-14(8-10-18-16)15-7-4-9-17-12-15;1-10-9-14(13(4)12(3)11(10)2)15-7-5-6-8-16-15;15-14(16,17)10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)19-18-13;1-2-8(6-12-4-1)11-9-7-13-5-3-10(9)15-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-13,15-18H;6-11,13-15H,4-5,16H2,1-3H3;3-6,8-15H,1-2H3;1-5,7-12H;5-8H,1-4H3;1-5,7-8H;1-5,7H;1-6,8-9H;;;;/q8*-1;;;;.

What are the key properties of 2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole?

2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole has a molecular weight of 2903.36 g/mol, XLogP of 34.93, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole is sourced from PubChem (CID 158642842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).