2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium)

C115H134Ir3N3O6-3 — CID 157158302

About 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium)

2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium) (PubChem CID 157158302) has the molecular formula C115H134Ir3N3O6-3 and a molecular weight of 2231.00 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium).

Molecular Properties

• Compound Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium)
• PubChem CID: 157158302
• Molecular Formula: C115H134Ir3N3O6-3
• Molecular Weight: 2231.00 g/mol
• Exact Mass: 2231.92
• IUPAC Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium)
• SMILES: CC(=O)C=C(C)O.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.Cc1[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1c[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc1.Cc1cc[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)c1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C30H30N.2C29H28N.2C11H20O2.C5H8O2.3Ir/c1-18(2)11-21-15-28(22-13-19(3)12-20(4)14-22)31-29-17-27-25(16-24(21)29)23-9-7-8-10-26(23)30(27,5)6;1-18(2)13-21-15-27(20-10-8-9-19(3)14-20)30-28-17-26-24(16-23(21)28)22-11-6-7-12-25(22)29(26,4)5;1-18(2)14-21-15-27(20-12-10-19(3)11-13-20)30-28-17-26-24(16-23(21)28)22-8-6-7-9-25(22)29(26,4)5;2*1-8(2)5-10(12)7-11(13)6-9(3)4;1-4(6)3-5(2)7;;;/h7-10,12-13,15-18H,11H2,1-6H3;6-9,11-12,14-18H,13H2,1-5H3;6-12,15-18H,14H2,1-5H3;2*7-9,12H,5-6H2,1-4H3;3,6H,1-2H3;;;/q3*-1
• InChIKey: DHXWQGWBNYPDEY-UHFFFAOYSA-N
• XLogP: 30.06
• TPSA: 150.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2231.00
LogP ≤ 5	30.06
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-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium)?

The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium) (CID 157158302) is 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);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-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium)?

The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium) is CC(=O)C=C(C)O.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.Cc1[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1c[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc1.Cc1cc[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)c1.[Ir].[Ir].[Ir].

What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium)?

The InChIKey is DHXWQGWBNYPDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N.2C29H28N.2C11H20O2.C5H8O2.3Ir/c1-18(2)11-21-15-28(22-13-19(3)12-20(4)14-22)31-29-17-27-25(16-24(21)29)23-9-7-8-10-26(23)30(27,5)6;1-18(2)13-21-15-27(20-10-8-9-19(3)14-20)30-28-17-26-24(16-23(21)28)22-11-6-7-12-25(22)29(26,4)5;1-18(2)14-21-15-27(20-12-10-19(3)11-13-20)30-28-17-26-24(16-23(21)28)22-8-6-7-9-25(22)29(26,4)5;2*1-8(2)5-10(12)7-11(13)6-9(3)4;1-4(6)3-5(2)7;;;/h7-10,12-13,15-18H,11H2,1-6H3;6-9,11-12,14-18H,13H2,1-5H3;6-12,15-18H,14H2,1-5H3;2*7-9,12H,5-6H2,1-4H3;3,6H,1-2H3;;;/q3*-1;;;;;;.

What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium)?

2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium) has a molecular weight of 2231.00 g/mol, XLogP of 30.06, 20 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-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;10,10-dimethyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;tris(iridium) is sourced from PubChem (CID 157158302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).