4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide

C122H125F3Ir5N15O6-5 — CID 158018465

About 4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide

4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide (PubChem CID 158018465) has the molecular formula C122H125F3Ir5N15O6-5 and a molecular weight of 2915.52 g/mol. Its IUPAC name is 4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide.

Molecular Properties

• Compound Name: 4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide
• PubChem CID: 158018465
• Molecular Formula: C122H125F3Ir5N15O6-5
• Molecular Weight: 2915.52 g/mol
• Exact Mass: 2917.81
• IUPAC Name: 4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide
• SMILES: CCc1cc(C)cc(CC)c1-n1ccnc1-c1[c-]cnc2c1OCC(C)C2C.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc3c2OCCN3C(F)(F)F)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc3c2OCCN3C2CCCCC2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc3c2OCCN3c2ccccc2)c(C)c1.Cc1ccc(-c2cc(C)c(-n3ccnc3-c3[c-]ccc4c3OCN(C)C4)c(C)c2)o1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C26H30N3O.C26H24N3O.C25H24N3O2.C24H28N3O.C21H19F3N3O.5Ir/c2*1-18-16-19(2)24(20(3)17-18)29-13-12-27-26(29)22-10-7-11-23-25(22)30-15-14-28(23)21-8-5-4-6-9-21;1-16-12-20(22-9-8-18(3)30-22)13-17(2)23(16)28-11-10-26-25(28)21-7-5-6-19-14-27(4)15-29-24(19)21;1-6-18-12-15(3)13-19(7-2)22(18)27-11-10-26-24(27)20-8-9-25-21-17(5)16(4)14-28-23(20)21;1-13-11-14(2)18(15(3)12-13)26-8-7-25-20(26)16-5-4-6-17-19(16)28-10-9-27(17)21(22,23)24;;;;;/h7,11-13,16-17,21H,4-6,8-9,14-15H2,1-3H3;4-9,11-13,16-17H,14-15H2,1-3H3;5-6,8-13H,14-15H2,1-4H3;9-13,16-17H,6-7,14H2,1-5H3;4,6-8,11-12H,9-10H2,1-3H3;;;;;/q5*-1
• InChIKey: FGDISODDASNECA-UHFFFAOYSA-N
• XLogP: 27.17
• TPSA: 174.24 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2915.52
LogP ≤ 5	27.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide?

The IUPAC name of 4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide (CID 158018465) is 4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide.

What is the SMILES notation for 4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide?

The canonical SMILES for 4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide is CCc1cc(C)cc(CC)c1-n1ccnc1-c1[c-]cnc2c1OCC(C)C2C.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc3c2OCCN3C(F)(F)F)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc3c2OCCN3C2CCCCC2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]ccc3c2OCCN3c2ccccc2)c(C)c1.Cc1ccc(-c2cc(C)c(-n3ccnc3-c3[c-]ccc4c3OCN(C)C4)c(C)c2)o1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide?

The InChIKey is FGDISODDASNECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N3O.C26H24N3O.C25H24N3O2.C24H28N3O.C21H19F3N3O.5Ir/c2*1-18-16-19(2)24(20(3)17-18)29-13-12-27-26(29)22-10-7-11-23-25(22)30-15-14-28(23)21-8-5-4-6-9-21;1-16-12-20(22-9-8-18(3)30-22)13-17(2)23(16)28-11-10-26-25(28)21-7-5-6-19-14-27(4)15-29-24(19)21;1-6-18-12-15(3)13-19(7-2)22(18)27-11-10-26-24(27)20-8-9-25-21-17(5)16(4)14-28-23(20)21;1-13-11-14(2)18(15(3)12-13)26-8-7-25-20(26)16-5-4-6-17-19(16)28-10-9-27(17)21(22,23)24;;;;;/h7,11-13,16-17,21H,4-6,8-9,14-15H2,1-3H3;4-9,11-13,16-17H,14-15H2,1-3H3;5-6,8-13H,14-15H2,1-4H3;9-13,16-17H,6-7,14H2,1-5H3;4,6-8,11-12H,9-10H2,1-3H3;;;;;/q5*-1;;;;;.

What are the key properties of 4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide?

4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide has a molecular weight of 2915.52 g/mol, XLogP of 27.17, 15 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide is sourced from PubChem (CID 158018465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).