diiodomethylidene(sulfido)phosphane;[4-[2-[4-[4-[3-[[[3-(3,4-dimethoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate

C46H62I2O10PSSi3- — CID 158082217

About diiodomethylidene(sulfido)phosphane;[4-[2-[4-[4-[3-[[[3-(3,4-dimethoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate

diiodomethylidene(sulfido)phosphane;[4-[2-[4-[4-[3-[[[3-(3,4-dimethoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate (PubChem CID 158082217) has the molecular formula C46H62I2O10PSSi3- and a molecular weight of 1176.10 g/mol. Its IUPAC name is diiodomethylidene(sulfido)phosphane;[4-[2-[4-[4-[3-[[[3-(3,4-dimethoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate.

Molecular Properties

• Compound Name: diiodomethylidene(sulfido)phosphane;[4-[2-[4-[4-[3-[[[3-(3,4-dimethoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate
• PubChem CID: 158082217
• Molecular Formula: C46H62I2O10PSSi3-
• Molecular Weight: 1176.10 g/mol
• Exact Mass: 1175.12
• IUPAC Name: diiodomethylidene(sulfido)phosphane;[4-[2-[4-[4-[3-[[[3-(3,4-dimethoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate
• SMILES: COc1ccc(CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc2ccc(OC(=O)Oc3ccc(C(C)(C)c4ccc(OC(C)=O)cc4)cc3)c(OC)c2)cc1OC.[S-]P=C(I)I
• InChI: InChI=1S/C45H62O10Si3.CI2PS/c1-33(46)51-38-23-19-36(20-24-38)45(2,3)37-21-25-39(26-22-37)52-44(47)53-41-28-18-35(32-43(41)50-6)16-14-30-57(9,10)55-58(11,12)54-56(7,8)29-13-15-34-17-27-40(48-4)42(31-34)49-5;2-1(3)4-5/h17-28,31-32H,13-16,29-30H2,1-12H3;/q;-1
• InChIKey: FNBZOVSOORXOEJ-UHFFFAOYSA-N
• XLogP: 13.60
• TPSA: 107.98 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1176.10
LogP ≤ 5	13.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diiodomethylidene(sulfido)phosphane;[4-[2-[4-[4-[3-[[[3-(3,4-dimethoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate?

The IUPAC name of diiodomethylidene(sulfido)phosphane;[4-[2-[4-[4-[3-[[[3-(3,4-dimethoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate (CID 158082217) is diiodomethylidene(sulfido)phosphane;[4-[2-[4-[4-[3-[[[3-(3,4-dimethoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate.

What is the SMILES notation for diiodomethylidene(sulfido)phosphane;[4-[2-[4-[4-[3-[[[3-(3,4-dimethoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate?

The canonical SMILES for diiodomethylidene(sulfido)phosphane;[4-[2-[4-[4-[3-[[[3-(3,4-dimethoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate is COc1ccc(CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc2ccc(OC(=O)Oc3ccc(C(C)(C)c4ccc(OC(C)=O)cc4)cc3)c(OC)c2)cc1OC.[S-]P=C(I)I.

What is the InChIKey of diiodomethylidene(sulfido)phosphane;[4-[2-[4-[4-[3-[[[3-(3,4-dimethoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate?

The InChIKey is FNBZOVSOORXOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H62O10Si3.CI2PS/c1-33(46)51-38-23-19-36(20-24-38)45(2,3)37-21-25-39(26-22-37)52-44(47)53-41-28-18-35(32-43(41)50-6)16-14-30-57(9,10)55-58(11,12)54-56(7,8)29-13-15-34-17-27-40(48-4)42(31-34)49-5;2-1(3)4-5/h17-28,31-32H,13-16,29-30H2,1-12H3;/q;-1.

What are the key properties of diiodomethylidene(sulfido)phosphane;[4-[2-[4-[4-[3-[[[3-(3,4-dimethoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate?

diiodomethylidene(sulfido)phosphane;[4-[2-[4-[4-[3-[[[3-(3,4-dimethoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate has a molecular weight of 1176.10 g/mol, XLogP of 13.60, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for diiodomethylidene(sulfido)phosphane;[4-[2-[4-[4-[3-[[[3-(3,4-dimethoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] acetate is sourced from PubChem (CID 158082217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).