bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline)

C120H160Ir4N4O8-4 — CID 162285075

About bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline)

bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline) (PubChem CID 162285075) has the molecular formula C120H160Ir4N4O8-4 and a molecular weight of 2555.49 g/mol. Its IUPAC name is bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline).

Molecular Properties

• Compound Name: bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline)
• PubChem CID: 162285075
• Molecular Formula: C120H160Ir4N4O8-4
• Molecular Weight: 2555.49 g/mol
• Exact Mass: 2557.08
• IUPAC Name: bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline)
• SMILES: CC(C)C(O)=CC(O)C(C)C.CC(C)C(O)=CC(O)C(C)C.CC(C)CC(O)=CC(O)CC(C)C.CC(O)=CC(C)O.Cc1[c-]c(-c2ccc3c(C(C)C)cccc3n2)cc(C)c1C.Cc1[c-]c(-c2ccc3c(C(C)C)cccc3n2)cc(C)c1C.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1C.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1C.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C22H24N.2C21H22N.C11H22O2.2C9H18O2.C5H10O2.4Ir/c2*1-14(2)11-18-7-6-8-22-20(18)9-10-21(23-22)19-12-15(3)17(5)16(4)13-19;2*1-13(2)18-7-6-8-21-19(18)9-10-20(22-21)17-11-14(3)16(5)15(4)12-17;1-8(2)5-10(12)7-11(13)6-9(3)4;2*1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h2*6-10,12,14H,11H2,1-5H3;2*6-11,13H,1-5H3;7-10,12-13H,5-6H2,1-4H3;2*5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;;;/q4*-1
• InChIKey: NTKGCSOGKXJFGV-UHFFFAOYSA-N
• XLogP: 31.06
• TPSA: 213.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2555.49
LogP ≤ 5	31.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline)?

The IUPAC name of bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline) (CID 162285075) is bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline).

What is the SMILES notation for bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline)?

The canonical SMILES for bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline) is CC(C)C(O)=CC(O)C(C)C.CC(C)C(O)=CC(O)C(C)C.CC(C)CC(O)=CC(O)CC(C)C.CC(O)=CC(C)O.Cc1[c-]c(-c2ccc3c(C(C)C)cccc3n2)cc(C)c1C.Cc1[c-]c(-c2ccc3c(C(C)C)cccc3n2)cc(C)c1C.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1C.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1C.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline)?

The InChIKey is NTKGCSOGKXJFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H24N.2C21H22N.C11H22O2.2C9H18O2.C5H10O2.4Ir/c2*1-14(2)11-18-7-6-8-22-20(18)9-10-21(23-22)19-12-15(3)17(5)16(4)13-19;2*1-13(2)18-7-6-8-21-19(18)9-10-20(22-21)17-11-14(3)16(5)15(4)12-17;1-8(2)5-10(12)7-11(13)6-9(3)4;2*1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h2*6-10,12,14H,11H2,1-5H3;2*6-11,13H,1-5H3;7-10,12-13H,5-6H2,1-4H3;2*5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;.

What are the key properties of bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline)?

bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline) has a molecular weight of 2555.49 g/mol, XLogP of 31.06, 22 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,6-dimethylhept-3-ene-3,5-diol);2,8-dimethylnon-4-ene-4,6-diol;tetrakis(iridium);bis(5-(2-methylpropyl)-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline);pent-2-ene-2,4-diol;bis(5-propan-2-yl-2-(3,4,5-trimethylbenzene-6-id-1-yl)quinoline) is sourced from PubChem (CID 162285075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).