7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-cyclopentyl-2,6-dimethylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium

C53H67F3IrNO2S- — CID 164703115

About 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-cyclopentyl-2,6-dimethylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium

7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-cyclopentyl-2,6-dimethylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium (PubChem CID 164703115) has the molecular formula C53H67F3IrNO2S- and a molecular weight of 1031.40 g/mol. Its IUPAC name is 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-cyclopentyl-2,6-dimethylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium.

Molecular Properties

• Compound Name: 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-cyclopentyl-2,6-dimethylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium
• PubChem CID: 164703115
• Molecular Formula: C53H67F3IrNO2S-
• Molecular Weight: 1031.40 g/mol
• Exact Mass: 1031.45
• IUPAC Name: 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-cyclopentyl-2,6-dimethylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium
• SMILES: CC(C)C(C(=O)/C=C(\O)C(C(C)C)C(C)C)C(C)C.Cc1cc(C2CCCC2)cc(C)c1-c1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncc(C(F)(F)F)c2c1C.[Ir]
• InChI: InChI=1S/C36H35F3NS.C17H32O2.Ir/c1-20-15-25(23-11-7-8-12-23)16-21(2)30(20)33-22(3)31-29(36(37,38)39)19-40-32(34(31)41-33)26-17-24-13-9-10-14-27(24)28(18-26)35(4,5)6;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;/h9-10,13-16,18-19,23H,7-8,11-12H2,1-6H3;9-13,16-18H,1-8H3;/q-1;;/b;14-9-
• InChIKey: DYUFTAKQSNVGOI-XQKBYGRFSA-N
• XLogP: 16.33
• TPSA: 50.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1031.40
LogP ≤ 5	16.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-cyclopentyl-2,6-dimethylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium?

The IUPAC name of 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-cyclopentyl-2,6-dimethylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium (CID 164703115) is 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-cyclopentyl-2,6-dimethylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium.

What is the SMILES notation for 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-cyclopentyl-2,6-dimethylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium?

The canonical SMILES for 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-cyclopentyl-2,6-dimethylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium is CC(C)C(C(=O)/C=C(\O)C(C(C)C)C(C)C)C(C)C.Cc1cc(C2CCCC2)cc(C)c1-c1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncc(C(F)(F)F)c2c1C.[Ir].

What is the InChIKey of 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-cyclopentyl-2,6-dimethylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium?

The InChIKey is DYUFTAKQSNVGOI-XQKBYGRFSA-N. The full InChI is InChI=1S/C36H35F3NS.C17H32O2.Ir/c1-20-15-25(23-11-7-8-12-23)16-21(2)30(20)33-22(3)31-29(36(37,38)39)19-40-32(34(31)41-33)26-17-24-13-9-10-14-27(24)28(18-26)35(4,5)6;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;/h9-10,13-16,18-19,23H,7-8,11-12H2,1-6H3;9-13,16-18H,1-8H3;/q-1;;/b;14-9-;.

What are the key properties of 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-cyclopentyl-2,6-dimethylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium?

7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-cyclopentyl-2,6-dimethylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium has a molecular weight of 1031.40 g/mol, XLogP of 16.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-cyclopentyl-2,6-dimethylphenyl)-3-methyl-4-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;iridium is sourced from PubChem (CID 164703115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).