(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium

C46H64IrNO2SSi2- — CID 176855299

About (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium

(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium (PubChem CID 176855299) has the molecular formula C46H64IrNO2SSi2- and a molecular weight of 943.48 g/mol. Its IUPAC name is (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium
• PubChem CID: 176855299
• Molecular Formula: C46H64IrNO2SSi2-
• Molecular Weight: 943.48 g/mol
• Exact Mass: 943.38
• IUPAC Name: (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium
• SMILES: CCC(CC)C(=O)/C=C(\O)C(CC)CC.Cc1ccc2c([Si](C)(C)C)cc(-c3ncc([Si](C)(C)C)c4c3sc3cc(CC(C)(C)C)ccc34)[c-]c2c1.[Ir]
• InChI: InChI=1S/C33H40NSSi2.C13H24O2.Ir/c1-21-11-13-25-23(15-21)17-24(18-28(25)36(5,6)7)31-32-30(29(20-34-31)37(8,9)10)26-14-12-22(16-27(26)35-32)19-33(2,3)4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h11-16,18,20H,19H2,1-10H3;9-11,14H,5-8H2,1-4H3;/q-1;;/b;12-9-
• InChIKey: OKTSEHLGXYZDJD-DZTQYQPZSA-N
• XLogP: 12.92
• TPSA: 50.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.48
LogP ≤ 5	12.92
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium?

The IUPAC name of (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium (CID 176855299) is (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium.

What is the SMILES notation for (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium?

The canonical SMILES for (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium is CCC(CC)C(=O)/C=C(\O)C(CC)CC.Cc1ccc2c([Si](C)(C)C)cc(-c3ncc([Si](C)(C)C)c4c3sc3cc(CC(C)(C)C)ccc34)[c-]c2c1.[Ir].

What is the InChIKey of (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium?

The InChIKey is OKTSEHLGXYZDJD-DZTQYQPZSA-N. The full InChI is InChI=1S/C33H40NSSi2.C13H24O2.Ir/c1-21-11-13-25-23(15-21)17-24(18-28(25)36(5,6)7)31-32-30(29(20-34-31)37(8,9)10)26-14-12-22(16-27(26)35-32)19-33(2,3)4;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h11-16,18,20H,19H2,1-10H3;9-11,14H,5-8H2,1-4H3;/q-1;;/b;12-9-;.

What are the key properties of (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium?

(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium has a molecular weight of 943.48 g/mol, XLogP of 12.92, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium is sourced from PubChem (CID 176855299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).