2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol

C70H100Ir2N2O4-2 — CID 162280996

About 2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol

2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol (PubChem CID 162280996) has the molecular formula C70H100Ir2N2O4-2 and a molecular weight of 1418.01 g/mol. Its IUPAC name is 2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol.

Molecular Properties

• Compound Name: 2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol
• PubChem CID: 162280996
• Molecular Formula: C70H100Ir2N2O4-2
• Molecular Weight: 1418.01 g/mol
• Exact Mass: 1418.70
• IUPAC Name: 2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol
• SMILES: CC(C)C(O)=CC(O)C(C)C.CC(C)Cc1ccc2c(-c3[c-]c(C(C)C)cc(C(C)C)c3)ncc(CC(C)C)c2c1.CC(C)c1[c-]c(-c2ncc(C(C)C)c3cc(C(C)C)ccc23)cc(C(C)C)c1.CC(O)=CC(C)O.[Ir].[Ir]
• InChI: InChI=1S/C29H38N.C27H34N.C9H18O2.C5H10O2.2Ir/c1-18(2)11-22-9-10-27-28(13-22)26(12-19(3)4)17-30-29(27)25-15-23(20(5)6)14-24(16-25)21(7)8;1-16(2)20-9-10-24-25(14-20)26(19(7)8)15-28-27(24)23-12-21(17(3)4)11-22(13-23)18(5)6;1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;/h9-10,13-15,17-21H,11-12H2,1-8H3;9-12,14-19H,1-8H3;5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;/q2*-1
• InChIKey: BLSWUGKNXLHROB-UHFFFAOYSA-N
• XLogP: 19.47
• TPSA: 106.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1418.01
LogP ≤ 5	19.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

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 2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol?

The IUPAC name of 2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol (CID 162280996) is 2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol.

What is the SMILES notation for 2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol?

The canonical SMILES for 2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol is CC(C)C(O)=CC(O)C(C)C.CC(C)Cc1ccc2c(-c3[c-]c(C(C)C)cc(C(C)C)c3)ncc(CC(C)C)c2c1.CC(C)c1[c-]c(-c2ncc(C(C)C)c3cc(C(C)C)ccc23)cc(C(C)C)c1.CC(O)=CC(C)O.[Ir].[Ir].

What is the InChIKey of 2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol?

The InChIKey is BLSWUGKNXLHROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N.C27H34N.C9H18O2.C5H10O2.2Ir/c1-18(2)11-22-9-10-27-28(13-22)26(12-19(3)4)17-30-29(27)25-15-23(20(5)6)14-24(16-25)21(7)8;1-16(2)20-9-10-24-25(14-20)26(19(7)8)15-28-27(24)23-12-21(17(3)4)11-22(13-23)18(5)6;1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;/h9-10,13-15,17-21H,11-12H2,1-8H3;9-12,14-19H,1-8H3;5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;/q2*-1;;;;.

What are the key properties of 2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol?

2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol has a molecular weight of 1418.01 g/mol, XLogP of 19.47, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethylhept-3-ene-3,5-diol;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-bis(2-methylpropyl)isoquinoline;1-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-4,6-di(propan-2-yl)isoquinoline;bis(iridium);pent-2-ene-2,4-diol is sourced from PubChem (CID 162280996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).