2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(3-methylphenyl)indeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,5-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium)

C116H112Ir3N3O6-3 — CID 160956822

About 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(3-methylphenyl)indeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,5-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium)

2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(3-methylphenyl)indeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,5-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium) (PubChem CID 160956822) has the molecular formula C116H112Ir3N3O6-3 and a molecular weight of 2220.84 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(3-methylphenyl)indeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,5-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium).

Molecular Properties

• Compound Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(3-methylphenyl)indeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,5-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium)
• PubChem CID: 160956822
• Molecular Formula: C116H112Ir3N3O6-3
• Molecular Weight: 2220.84 g/mol
• Exact Mass: 2221.75
• IUPAC Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(3-methylphenyl)indeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,5-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium)
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2cc(-c3cc(C)ccc3C)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1[c-]c(-c2cc(-c3ccc(C)cc3C)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1[c-]c(-c2cc(-c3cccc(C)c3)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C34H30N.C33H28N.3C5H8O2.3Ir/c1-20-11-12-23(4)26(16-20)27-18-32(24-14-21(2)13-22(3)15-24)35-33-19-31-28(17-29(27)33)25-9-7-8-10-30(25)34(31,5)6;1-20-11-12-25(23(4)14-20)27-18-32(24-15-21(2)13-22(3)16-24)35-33-19-31-28(17-29(27)33)26-9-7-8-10-30(26)34(31,5)6;1-20-9-8-10-23(14-20)26-18-31(24-15-21(2)13-22(3)16-24)34-32-19-30-27(17-28(26)32)25-11-6-7-12-29(25)33(30,4)5;3*1-4(6)3-5(2)7;;;/h7-14,16-19H,1-6H3;7-15,17-19H,1-6H3;6-15,17-19H,1-5H3;3*3,6H,1-2H3;;;/q3*-1
• InChIKey: KFIJENJLUDQSGB-UHFFFAOYSA-N
• XLogP: 29.52
• TPSA: 150.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2220.84
LogP ≤ 5	29.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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)-10,10-dimethyl-4-(3-methylphenyl)indeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,5-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium)?

The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(3-methylphenyl)indeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,5-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium) (CID 160956822) is 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(3-methylphenyl)indeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,5-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium).

What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(3-methylphenyl)indeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,5-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium)?

The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(3-methylphenyl)indeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,5-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2cc(-c3cc(C)ccc3C)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1[c-]c(-c2cc(-c3ccc(C)cc3C)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1[c-]c(-c2cc(-c3cccc(C)c3)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.[Ir].[Ir].[Ir].

What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(3-methylphenyl)indeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,5-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium)?

The InChIKey is KFIJENJLUDQSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H30N.C33H28N.3C5H8O2.3Ir/c1-20-11-12-23(4)26(16-20)27-18-32(24-14-21(2)13-22(3)15-24)35-33-19-31-28(17-29(27)33)25-9-7-8-10-30(25)34(31,5)6;1-20-11-12-25(23(4)14-20)27-18-32(24-15-21(2)13-22(3)16-24)35-33-19-31-28(17-29(27)33)26-9-7-8-10-30(26)34(31,5)6;1-20-9-8-10-23(14-20)26-18-31(24-15-21(2)13-22(3)16-24)34-32-19-30-27(17-28(26)32)25-11-6-7-12-29(25)33(30,4)5;3*1-4(6)3-5(2)7;;;/h7-14,16-19H,1-6H3;7-15,17-19H,1-6H3;6-15,17-19H,1-5H3;3*3,6H,1-2H3;;;/q3*-1;;;;;;.

What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(3-methylphenyl)indeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,5-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium)?

2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(3-methylphenyl)indeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,5-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium) has a molecular weight of 2220.84 g/mol, XLogP of 29.52, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(3-methylphenyl)indeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,5-dimethylphenyl)-10,10-dimethylindeno[1,2-g]quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium) is sourced from PubChem (CID 160956822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).