5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole

C161H127F3Ir4N15O3S-6 — CID 160779406

About 5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole

5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole (PubChem CID 160779406) has the molecular formula C161H127F3Ir4N15O3S-6 and a molecular weight of 3177.82 g/mol. Its IUPAC name is 5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole.

Molecular Properties

• Compound Name: 5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole
• PubChem CID: 160779406
• Molecular Formula: C161H127F3Ir4N15O3S-6
• Molecular Weight: 3177.82 g/mol
• Exact Mass: 3178.85
• IUPAC Name: 5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole
• SMILES: CC(C)c1[c-]c(-c2noc3ccccc23)cc(C(C)C)c1.CN1[CH-]N(c2[c-]cccc2)c2cc(C3CCCCC3)ccc21.Cc1cnc(-c2[c-]ccc3c2C(C)(C(F)(F)F)c2ccccc2-3)cc1C.Cc1cnc(-c2[c-]ccc3c4ccccc4n(-c4ccccc4)c23)cc1C.[Ir+3].[Ir].[Ir].[Ir].[c-]1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nccc2ccccc12.[c-]1ccc2c(c1-c1noc3ccccc13)CCCC2.[c-]1ncc2ccccc2c1-c1noc2ccccc12.[c-]1ncccc1-c1nsc2ccccc12
• InChI: InChI=1S/C30H19N4.C25H19N2.C22H17F3N.C20H22N2.C19H20NO.C17H14NO.C16H9N2O.C12H7N2S.4Ir/c1-3-11-22(12-4-1)28-32-29(23-13-5-2-6-14-23)34-30(33-28)25-16-9-15-24(20-25)27-26-17-8-7-10-21(26)18-19-31-27;1-17-15-23(26-16-18(17)2)22-13-8-12-21-20-11-6-7-14-24(20)27(25(21)22)19-9-4-3-5-10-19;1-13-11-19(26-12-14(13)2)17-9-6-8-16-15-7-4-5-10-18(15)21(3,20(16)17)22(23,24)25;1-21-15-22(18-10-6-3-7-11-18)20-14-17(12-13-19(20)21)16-8-4-2-5-9-16;1-12(2)14-9-15(13(3)4)11-16(10-14)19-17-7-5-6-8-18(17)21-20-19;1-2-8-13-12(6-1)7-5-10-14(13)17-15-9-3-4-11-16(15)19-18-17;1-2-6-12-11(5-1)9-17-10-14(12)16-13-7-3-4-8-15(13)19-18-16;1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;;;;/h1-14,16-20H;3-12,14-16H,1-2H3;4-8,10-12H,1-3H3;3,6-7,10,12-16H,2,4-5,8-9H2,1H3;5-10,12-13H,1-4H3;3-5,7,9,11H,1-2,6,8H2;1-9H;1-7H;;;;/q3*-1;-2;4*-1;;;;+3
• InChIKey: RJYPZMGGEJVJOB-UHFFFAOYSA-N
• XLogP: 41.11
• TPSA: 205.51 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3177.82
LogP ≤ 5	41.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole?

The IUPAC name of 5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole (CID 160779406) is 5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole.

What is the SMILES notation for 5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole?

The canonical SMILES for 5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole is CC(C)c1[c-]c(-c2noc3ccccc23)cc(C(C)C)c1.CN1[CH-]N(c2[c-]cccc2)c2cc(C3CCCCC3)ccc21.Cc1cnc(-c2[c-]ccc3c2C(C)(C(F)(F)F)c2ccccc2-3)cc1C.Cc1cnc(-c2[c-]ccc3c4ccccc4n(-c4ccccc4)c23)cc1C.[Ir+3].[Ir].[Ir].[Ir].[c-]1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nccc2ccccc12.[c-]1ccc2c(c1-c1noc3ccccc13)CCCC2.[c-]1ncc2ccccc2c1-c1noc2ccccc12.[c-]1ncccc1-c1nsc2ccccc12.

What is the InChIKey of 5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole?

The InChIKey is RJYPZMGGEJVJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N4.C25H19N2.C22H17F3N.C20H22N2.C19H20NO.C17H14NO.C16H9N2O.C12H7N2S.4Ir/c1-3-11-22(12-4-1)28-32-29(23-13-5-2-6-14-23)34-30(33-28)25-16-9-15-24(20-25)27-26-17-8-7-10-21(26)18-19-31-27;1-17-15-23(26-16-18(17)2)22-13-8-12-21-20-11-6-7-14-24(20)27(25(21)22)19-9-4-3-5-10-19;1-13-11-19(26-12-14(13)2)17-9-6-8-16-15-7-4-5-10-18(15)21(3,20(16)17)22(23,24)25;1-21-15-22(18-10-6-3-7-11-18)20-14-17(12-13-19(20)21)16-8-4-2-5-9-16;1-12(2)14-9-15(13(3)4)11-16(10-14)19-17-7-5-6-8-18(17)21-20-19;1-2-8-13-12(6-1)7-5-10-14(13)17-15-9-3-4-11-16(15)19-18-17;1-2-6-12-11(5-1)9-17-10-14(12)16-13-7-3-4-8-15(13)19-18-16;1-2-6-11-10(5-1)12(14-15-11)9-4-3-7-13-8-9;;;;/h1-14,16-20H;3-12,14-16H,1-2H3;4-8,10-12H,1-3H3;3,6-7,10,12-16H,2,4-5,8-9H2,1H3;5-10,12-13H,1-4H3;3-5,7,9,11H,1-2,6,8H2;1-9H;1-7H;;;;/q3*-1;-2;4*-1;;;;+3.

What are the key properties of 5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole?

5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole has a molecular weight of 3177.82 g/mol, XLogP of 41.11, 15 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole is sourced from PubChem (CID 160779406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).