tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)

C186H244F2Ir5N9O12-5 — CID 158663602

About tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)

tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) (PubChem CID 158663602) has the molecular formula C186H244F2Ir5N9O12-5 and a molecular weight of 3797.13 g/mol. Its IUPAC name is tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium).

Molecular Properties

• Compound Name: tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)
• PubChem CID: 158663602
• Molecular Formula: C186H244F2Ir5N9O12-5
• Molecular Weight: 3797.13 g/mol
• Exact Mass: 3798.69
• IUPAC Name: tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)
• SMILES: CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CCC(CC)C(=O)C(C)=C(O)C(CC)CC.CCC(CC)C(=O)C(C)=C(O)C(CC)CC.CCC(CC)C(=O)C(C)=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ccc3c(CC(C)(C)C)cccc3n2)c2oc3nc(C)ccc3c2c1.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)c2oc3nc(C)ccc3c2c1.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ncnc3cc(CC(C)C)ccc23)cc(C)c1F.Cc1[c-]c(-c2ncnc3cc(CC(C)C)ccc23)cc(C)c1F.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C27H25N2O.C26H23N2O.C21H22N.2C20H20FN2.C17H32O2.3C14H26O2.C13H24O2.5Ir/c1-16-13-21-20-10-9-17(2)28-26(20)30-25(21)22(14-16)24-12-11-19-18(15-27(3,4)5)7-6-8-23(19)29-24;1-15(2)12-18-6-5-7-23-19(18)10-11-24(28-23)22-14-16(3)13-21-20-9-8-17(4)27-26(20)29-25(21)22;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;2*1-12(2)7-15-5-6-17-18(10-15)22-11-23-20(17)16-8-13(3)19(21)14(4)9-16;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;3*1-6-11(7-2)13(15)10(5)14(16)12(8-3)9-4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;;/h6-13H,15H2,1-5H3;5-11,13,15H,12H2,1-4H3;5-9,11-12,14H,10H2,1-4H3;2*5-6,8,10-12H,7H2,1-4H3;9-13,16-18H,1-8H3;3*11-12,15H,6-9H2,1-5H3;9-11,14H,5-8H2,1-4H3;;;;;/q5*-1
• InChIKey: XOWQUPDOCCPKCQ-UHFFFAOYSA-N
• XLogP: 51.12
• TPSA: 328.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 49
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3797.13
LogP ≤ 5	51.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

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 tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)?

The IUPAC name of tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) (CID 158663602) is tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium).

What is the SMILES notation for tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)?

The canonical SMILES for tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) is CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CCC(CC)C(=O)C(C)=C(O)C(CC)CC.CCC(CC)C(=O)C(C)=C(O)C(CC)CC.CCC(CC)C(=O)C(C)=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ccc3c(CC(C)(C)C)cccc3n2)c2oc3nc(C)ccc3c2c1.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)c2oc3nc(C)ccc3c2c1.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1[c-]c(-c2ncnc3cc(CC(C)C)ccc23)cc(C)c1F.Cc1[c-]c(-c2ncnc3cc(CC(C)C)ccc23)cc(C)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)?

The InChIKey is XOWQUPDOCCPKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N2O.C26H23N2O.C21H22N.2C20H20FN2.C17H32O2.3C14H26O2.C13H24O2.5Ir/c1-16-13-21-20-10-9-17(2)28-26(20)30-25(21)22(14-16)24-12-11-19-18(15-27(3,4)5)7-6-8-23(19)29-24;1-15(2)12-18-6-5-7-23-19(18)10-11-24(28-23)22-14-16(3)13-21-20-9-8-17(4)27-26(20)29-25(21)22;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;2*1-12(2)7-15-5-6-17-18(10-15)22-11-23-20(17)16-8-13(3)19(21)14(4)9-16;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;3*1-6-11(7-2)13(15)10(5)14(16)12(8-3)9-4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;;/h6-13H,15H2,1-5H3;5-11,13,15H,12H2,1-4H3;5-9,11-12,14H,10H2,1-4H3;2*5-6,8,10-12H,7H2,1-4H3;9-13,16-18H,1-8H3;3*11-12,15H,6-9H2,1-5H3;9-11,14H,5-8H2,1-4H3;;;;;/q5*-1;;;;;;;;;;.

What are the key properties of tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)?

tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) has a molecular weight of 3797.13 g/mol, XLogP of 51.12, 49 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tris(3,7-diethyl-6-hydroxy-5-methylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2,6-dimethyl-8-[5-(2-methylpropyl)quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(2,2-dimethylpropyl)quinolin-2-yl]-2,6-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-(4-fluoro-3,5-dimethylbenzene-6-id-1-yl)-7-(2-methylpropyl)quinazoline);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) is sourced from PubChem (CID 158663602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).