2-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium)

C120H130Ir5N5O10-5 — CID 158450847

About 2-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium)

2-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium) (PubChem CID 158450847) has the molecular formula C120H130Ir5N5O10-5 and a molecular weight of 2763.47 g/mol. Its IUPAC name is 2-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium).

Molecular Properties

• Compound Name: 2-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium)
• PubChem CID: 158450847
• Molecular Formula: C120H130Ir5N5O10-5
• Molecular Weight: 2763.47 g/mol
• Exact Mass: 2765.80
• IUPAC Name: 2-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium)
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2ccc3c(C)cc(C)cc3n2)cc(C)c1.Cc1cc(C)c2ccc(-c3[c-]c(C)c(C)cc3C)nc2c1.Cc1cc(C)c2ccc(-c3[c-]cc(C)c(C)c3)nc2c1.Cc1cc(C)c2ccc(-c3[c-]ccc(C)c3C)nc2c1.Cc1cc[c-]c(-c2ccc3c(C)cc(C)cc3n2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C20H20N.3C19H18N.C18H16N.5C5H8O2.5Ir/c1-12-8-15(4)17-6-7-19(21-20(17)9-12)18-11-14(3)13(2)10-16(18)5;1-12-7-13(2)10-16(9-12)18-6-5-17-15(4)8-14(3)11-19(17)20-18;1-12-9-15(4)17-7-8-18(20-19(17)10-12)16-6-5-13(2)14(3)11-16;1-12-10-14(3)16-8-9-18(20-19(16)11-12)17-7-5-6-13(2)15(17)4;1-12-5-4-6-15(10-12)17-8-7-16-14(3)9-13(2)11-18(16)19-17;5*1-4(6)3-5(2)7;;;;;/h6-10H,1-5H3;5-9,11H,1-4H3;5,7-11H,1-4H3;5-6,8-11H,1-4H3;4-5,7-11H,1-3H3;5*3,6H,1-2H3;;;;;/q5*-1
• InChIKey: RDZIANUTBDMRDE-UHFFFAOYSA-N
• XLogP: 29.85
• TPSA: 250.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2763.47
LogP ≤ 5	29.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

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-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium)?

The IUPAC name of 2-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium) (CID 158450847) is 2-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium).

What is the SMILES notation for 2-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium)?

The canonical SMILES for 2-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2ccc3c(C)cc(C)cc3n2)cc(C)c1.Cc1cc(C)c2ccc(-c3[c-]c(C)c(C)cc3C)nc2c1.Cc1cc(C)c2ccc(-c3[c-]cc(C)c(C)c3)nc2c1.Cc1cc(C)c2ccc(-c3[c-]ccc(C)c3C)nc2c1.Cc1cc[c-]c(-c2ccc3c(C)cc(C)cc3n2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium)?

The InChIKey is RDZIANUTBDMRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N.3C19H18N.C18H16N.5C5H8O2.5Ir/c1-12-8-15(4)17-6-7-19(21-20(17)9-12)18-11-14(3)13(2)10-16(18)5;1-12-7-13(2)10-16(9-12)18-6-5-17-15(4)8-14(3)11-19(17)20-18;1-12-9-15(4)17-7-8-18(20-19(17)10-12)16-6-5-13(2)14(3)11-16;1-12-10-14(3)16-8-9-18(20-19(16)11-12)17-7-5-6-13(2)15(17)4;1-12-5-4-6-15(10-12)17-8-7-16-14(3)9-13(2)11-18(16)19-17;5*1-4(6)3-5(2)7;;;;;/h6-10H,1-5H3;5-9,11H,1-4H3;5,7-11H,1-4H3;5-6,8-11H,1-4H3;4-5,7-11H,1-3H3;5*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;.

What are the key properties of 2-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium)?

2-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium) has a molecular weight of 2763.47 g/mol, XLogP of 29.85, 10 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,4-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5,7-dimethylquinoline;5,7-dimethyl-2-(3-methylbenzene-6-id-1-yl)quinoline;5,7-dimethyl-2-(2,4,5-trimethylbenzene-6-id-1-yl)quinoline;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium) is sourced from PubChem (CID 158450847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).