cobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane)

C65H85CoSi4-5 — CID 173303872

IUPACcobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane)
SMILESC1=CC=C1.CC[Si](C#Cc1cc[c-]cc1)(CC)CC.CC[Si](C#Cc1cc[c-]cc1)(CC)CC.CC[Si](C#Cc1cc[c-]cc1)(CC)CC.CC[Si](C#Cc1cc[c-]cc1)(CC)CC.[C-]1=CC=CC1.[Co]
InChIInChI=1S/4C14H19Si.C5H5.C4H4.Co/c4*1-4-15(5-2,6-3)13-12-14-10-8-7-9-11-14;1-2-4-5-3-1;1-2-4-3-1;/h4*8-11H,4-6H2,1-3H3;1-3H,4H2;1-4H;/q5*-1;;
InChIKeyFPYJZDAJQSVMEM-UHFFFAOYSA-N
MW1037.67 g/mol
LogP17.96
Rot. Bonds12

About cobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane)

cobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane) (PubChem CID 173303872) has the molecular formula C65H85CoSi4-5 and a molecular weight of 1037.67 g/mol. Its IUPAC name is cobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane).

Molecular Properties

Compound Namecobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane)
PubChem CID173303872
Molecular FormulaC65H85CoSi4-5
Molecular Weight1037.67 g/mol
Exact Mass1036.51
IUPAC Namecobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane)
SMILESC1=CC=C1.CC[Si](C#Cc1cc[c-]cc1)(CC)CC.CC[Si](C#Cc1cc[c-]cc1)(CC)CC.CC[Si](C#Cc1cc[c-]cc1)(CC)CC.CC[Si](C#Cc1cc[c-]cc1)(CC)CC.[C-]1=CC=CC1.[Co]
InChIInChI=1S/4C14H19Si.C5H5.C4H4.Co/c4*1-4-15(5-2,6-3)13-12-14-10-8-7-9-11-14;1-2-4-5-3-1;1-2-4-3-1;/h4*8-11H,4-6H2,1-3H3;1-3H,4H2;1-4H;/q5*-1;;
InChIKeyFPYJZDAJQSVMEM-UHFFFAOYSA-N
XLogP17.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.67
LogP ≤ 517.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane)?
The IUPAC name of cobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane) (CID 173303872) is cobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane).
What is the SMILES notation for cobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane)?
The canonical SMILES for cobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane) is C1=CC=C1.CC[Si](C#Cc1cc[c-]cc1)(CC)CC.CC[Si](C#Cc1cc[c-]cc1)(CC)CC.CC[Si](C#Cc1cc[c-]cc1)(CC)CC.CC[Si](C#Cc1cc[c-]cc1)(CC)CC.[C-]1=CC=CC1.[Co].
What is the InChIKey of cobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane)?
The InChIKey is FPYJZDAJQSVMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H19Si.C5H5.C4H4.Co/c4*1-4-15(5-2,6-3)13-12-14-10-8-7-9-11-14;1-2-4-5-3-1;1-2-4-3-1;/h4*8-11H,4-6H2,1-3H3;1-3H,4H2;1-4H;/q5*-1;;.
What are the key properties of cobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane)?
cobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane) has a molecular weight of 1037.67 g/mol, XLogP of 17.96, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;cyclobutadiene;cyclopenta-1,3-diene;tetrakis(triethyl(2-phenylethynyl)silane) is sourced from PubChem (CID 173303872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).