(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;trimethyl-[3-methyl-4-[7-(4-pentan-3-yl-1H-naphthalen-1-id-2-yl)furo[2,3-c]pyridin-2-yl]phenyl]silane

C45H58IrNO3Si- — CID 170660606

About (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;trimethyl-[3-methyl-4-[7-(4-pentan-3-yl-1H-naphthalen-1-id-2-yl)furo[2,3-c]pyridin-2-yl]phenyl]silane

(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;trimethyl-[3-methyl-4-[7-(4-pentan-3-yl-1H-naphthalen-1-id-2-yl)furo[2,3-c]pyridin-2-yl]phenyl]silane (PubChem CID 170660606) has the molecular formula C45H58IrNO3Si- and a molecular weight of 881.27 g/mol. Its IUPAC name is (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;trimethyl-[3-methyl-4-[7-(4-pentan-3-yl-1H-naphthalen-1-id-2-yl)furo[2,3-c]pyridin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;trimethyl-[3-methyl-4-[7-(4-pentan-3-yl-1H-naphthalen-1-id-2-yl)furo[2,3-c]pyridin-2-yl]phenyl]silane
• PubChem CID: 170660606
• Molecular Formula: C45H58IrNO3Si-
• Molecular Weight: 881.27 g/mol
• Exact Mass: 881.38
• IUPAC Name: (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;trimethyl-[3-methyl-4-[7-(4-pentan-3-yl-1H-naphthalen-1-id-2-yl)furo[2,3-c]pyridin-2-yl]phenyl]silane
• SMILES: CCC(CC)C(=O)/C=C(\O)C(CC)CC.CCC(CC)c1cc(-c2nccc3cc(-c4ccc([Si](C)(C)C)cc4C)oc23)[c-]c2ccccc12.[Ir]
• InChI: InChI=1S/C32H34NOSi.C13H24O2.Ir/c1-7-22(8-2)29-19-25(18-23-11-9-10-12-28(23)29)31-32-24(15-16-33-31)20-30(34-32)27-14-13-26(17-21(27)3)35(4,5)6;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h9-17,19-20,22H,7-8H2,1-6H3;9-11,14H,5-8H2,1-4H3;/q-1;;/b;12-9-
• InChIKey: XCYVOQIAHHOVKV-DZTQYQPZSA-N
• XLogP: 12.74
• TPSA: 63.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.27
LogP ≤ 5	12.74
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;iridium;trimethyl-[3-methyl-4-[7-(4-pentan-3-yl-1H-naphthalen-1-id-2-yl)furo[2,3-c]pyridin-2-yl]phenyl]silane?

The IUPAC name of (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;trimethyl-[3-methyl-4-[7-(4-pentan-3-yl-1H-naphthalen-1-id-2-yl)furo[2,3-c]pyridin-2-yl]phenyl]silane (CID 170660606) is (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;trimethyl-[3-methyl-4-[7-(4-pentan-3-yl-1H-naphthalen-1-id-2-yl)furo[2,3-c]pyridin-2-yl]phenyl]silane.

What is the SMILES notation for (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;trimethyl-[3-methyl-4-[7-(4-pentan-3-yl-1H-naphthalen-1-id-2-yl)furo[2,3-c]pyridin-2-yl]phenyl]silane?

The canonical SMILES for (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;trimethyl-[3-methyl-4-[7-(4-pentan-3-yl-1H-naphthalen-1-id-2-yl)furo[2,3-c]pyridin-2-yl]phenyl]silane is CCC(CC)C(=O)/C=C(\O)C(CC)CC.CCC(CC)c1cc(-c2nccc3cc(-c4ccc([Si](C)(C)C)cc4C)oc23)[c-]c2ccccc12.[Ir].

What is the InChIKey of (Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;trimethyl-[3-methyl-4-[7-(4-pentan-3-yl-1H-naphthalen-1-id-2-yl)furo[2,3-c]pyridin-2-yl]phenyl]silane?

The InChIKey is XCYVOQIAHHOVKV-DZTQYQPZSA-N. The full InChI is InChI=1S/C32H34NOSi.C13H24O2.Ir/c1-7-22(8-2)29-19-25(18-23-11-9-10-12-28(23)29)31-32-24(15-16-33-31)20-30(34-32)27-14-13-26(17-21(27)3)35(4,5)6;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;/h9-17,19-20,22H,7-8H2,1-6H3;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;iridium;trimethyl-[3-methyl-4-[7-(4-pentan-3-yl-1H-naphthalen-1-id-2-yl)furo[2,3-c]pyridin-2-yl]phenyl]silane?

(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;trimethyl-[3-methyl-4-[7-(4-pentan-3-yl-1H-naphthalen-1-id-2-yl)furo[2,3-c]pyridin-2-yl]phenyl]silane has a molecular weight of 881.27 g/mol, XLogP of 12.74, 13 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;iridium;trimethyl-[3-methyl-4-[7-(4-pentan-3-yl-1H-naphthalen-1-id-2-yl)furo[2,3-c]pyridin-2-yl]phenyl]silane is sourced from PubChem (CID 170660606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).