[(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane

C58H54I4Si2 — CID 139249972

IUPAC[(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane
SMILESCCCC(=C(/I)c1ccc(-c2ccc(/C(I)=C(CCC)/C(=C(\I)[Si](C)(C)C#Cc3ccccc3)c3ccccc3)cc2)cc1)/C(=C(\I)[Si](C)(C)C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C58H54I4Si2/c1-7-21-51(53(47-27-17-11-18-28-47)57(61)63(3,4)41-39-43-23-13-9-14-24-43)55(59)49-35-31-45(32-36-49)46-33-37-50(38-34-46)56(60)52(22-8-2)54(48-29-19-12-20-30-48)58(62)64(5,6)42-40-44-25-15-10-16-26-44/h9-20,23-38H,7-8,21-22H2,1-6H3/b55-51-,56-52-,57-53+,58-54+
InChIKeyOPQMFXADNDQFKK-BNKLOJLUSA-N
MW1314.86 g/mol
LogP18.62
Rot. Bonds13

About [(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane

[(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane (PubChem CID 139249972) has the molecular formula C58H54I4Si2 and a molecular weight of 1314.86 g/mol. Its IUPAC name is [(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane.

Molecular Properties

Compound Name[(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane
PubChem CID139249972
Molecular FormulaC58H54I4Si2
Molecular Weight1314.86 g/mol
Exact Mass1313.99
IUPAC Name[(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane
SMILESCCCC(=C(/I)c1ccc(-c2ccc(/C(I)=C(CCC)/C(=C(\I)[Si](C)(C)C#Cc3ccccc3)c3ccccc3)cc2)cc1)/C(=C(\I)[Si](C)(C)C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C58H54I4Si2/c1-7-21-51(53(47-27-17-11-18-28-47)57(61)63(3,4)41-39-43-23-13-9-14-24-43)55(59)49-35-31-45(32-36-49)46-33-37-50(38-34-46)56(60)52(22-8-2)54(48-29-19-12-20-30-48)58(62)64(5,6)42-40-44-25-15-10-16-26-44/h9-20,23-38H,7-8,21-22H2,1-6H3/b55-51-,56-52-,57-53+,58-54+
InChIKeyOPQMFXADNDQFKK-BNKLOJLUSA-N
XLogP18.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001314.86
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane?
The IUPAC name of [(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane (CID 139249972) is [(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane.
What is the SMILES notation for [(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane?
The canonical SMILES for [(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane is CCCC(=C(/I)c1ccc(-c2ccc(/C(I)=C(CCC)/C(=C(\I)[Si](C)(C)C#Cc3ccccc3)c3ccccc3)cc2)cc1)/C(=C(\I)[Si](C)(C)C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane?
The InChIKey is OPQMFXADNDQFKK-BNKLOJLUSA-N. The full InChI is InChI=1S/C58H54I4Si2/c1-7-21-51(53(47-27-17-11-18-28-47)57(61)63(3,4)41-39-43-23-13-9-14-24-43)55(59)49-35-31-45(32-36-49)46-33-37-50(38-34-46)56(60)52(22-8-2)54(48-29-19-12-20-30-48)58(62)64(5,6)42-40-44-25-15-10-16-26-44/h9-20,23-38H,7-8,21-22H2,1-6H3/b55-51-,56-52-,57-53+,58-54+.
What are the key properties of [(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane?
[(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane has a molecular weight of 1314.86 g/mol, XLogP of 18.62, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3Z)-3-[[4-[4-[(Z)-2-[(Z)-2-[dimethyl(2-phenylethynyl)silyl]-2-iodo-1-phenylethenyl]-1-iodopent-1-enyl]phenyl]phenyl]-iodomethylidene]-1-iodo-2-phenylhex-1-enyl]-dimethyl-(2-phenylethynyl)silane is sourced from PubChem (CID 139249972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).