2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine

C141H132Ir4N11O5-7 — CID 158092695

About 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine

2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine (PubChem CID 158092695) has the molecular formula C141H132Ir4N11O5-7 and a molecular weight of 2832.57 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine.

Molecular Properties

• Compound Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
• PubChem CID: 158092695
• Molecular Formula: C141H132Ir4N11O5-7
• Molecular Weight: 2832.57 g/mol
• Exact Mass: 2833.92
• IUPAC Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
• SMILES: C.CC(=O)C=C(C)O.CC(C)c1cc2c(oc3ccccc32)c(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(C(C)C)cc4)ccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C27H25N2O.C26H21N2O.C21H23N2.C21H22N.C17H11N2O.C12H10N.C11H8N.C5H8O2.CH4.4Ir/c1-17(2)21-16-22-20-12-8-9-13-23(20)30-26(22)24(18(3)4)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19;1-16(2)18-8-10-19(11-9-18)20-13-14-27-24(15-20)23-6-4-5-21-22-12-7-17(3)28-26(22)29-25(21)23;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-14(2)10-17-6-5-7-21-19(17)8-9-20(22-21)18-12-15(3)11-16(4)13-18;1-11-8-9-13-12-5-4-6-14(15-7-2-3-10-18-15)16(12)20-17(13)19-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;/h5-10,12-18H,1-4H3;4-5,7-16H,1-3H3;5-9,11-16H,1-4H3;5-9,11-12,14H,10H2,1-4H3;2-5,7-10H,1H3;2-5,7-9H,1H3;1-6,8-9H;3,6H,1-2H3;1H4;;;;/q7*-1;;;;;;/i;;;;;1D3
• InChIKey: XTNWXVGYAITVPS-AFKBBFOWSA-N
• XLogP: 36.75
• TPSA: 202.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2832.57
LogP ≤ 5	36.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine?

The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine (CID 158092695) is 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine.

What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine?

The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine is C.CC(=O)C=C(C)O.CC(C)c1cc2c(oc3ccccc32)c(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(C(C)C)cc4)ccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine?

The InChIKey is XTNWXVGYAITVPS-AFKBBFOWSA-N. The full InChI is InChI=1S/C27H25N2O.C26H21N2O.C21H23N2.C21H22N.C17H11N2O.C12H10N.C11H8N.C5H8O2.CH4.4Ir/c1-17(2)21-16-22-20-12-8-9-13-23(20)30-26(22)24(18(3)4)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19;1-16(2)18-8-10-19(11-9-18)20-13-14-27-24(15-20)23-6-4-5-21-22-12-7-17(3)28-26(22)29-25(21)23;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-14(2)10-17-6-5-7-21-19(17)8-9-20(22-21)18-12-15(3)11-16(4)13-18;1-11-8-9-13-12-5-4-6-14(15-7-2-3-10-18-15)16(12)20-17(13)19-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;/h5-10,12-18H,1-4H3;4-5,7-16H,1-3H3;5-9,11-16H,1-4H3;5-9,11-12,14H,10H2,1-4H3;2-5,7-10H,1H3;2-5,7-9H,1H3;1-6,8-9H;3,6H,1-2H3;1H4;;;;/q7*-1;;;;;;/i;;;;;1D3;;;;;;;.

What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine?

2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine has a molecular weight of 2832.57 g/mol, XLogP of 36.75, 19 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;tetrakis(iridium);methane;2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 158092695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).