[(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane

C54H52Si2 — CID 10700299

IUPAC[(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane
SMILESC/C(C#Cc1ccc(/C2=C(\c3ccc(C#C/C(C)=C\C=C/C#C[Si](C)(C)C)cc3)c3c(C)cccc3/C=C\c3cccc(C)c32)cc1)=C/C=C\C#C[Si](C)(C)C
InChIInChI=1S/C54H52Si2/c1-41(19-13-11-15-39-55(5,6)7)25-27-45-29-33-49(34-30-45)53-51-43(3)21-17-23-47(51)37-38-48-24-18-22-44(4)52(48)54(53)50-35-31-46(32-36-50)28-26-42(2)20-14-12-16-40-56(8,9)10/h11-14,17-24,29-38H,1-10H3/b13-11-,14-12-,38-37-,41-19-,42-20-,47-37-,48-38-,53-51-,54-52-,54-53-
InChIKeyRDFCQNJPCIDJPV-QYYYMHBISA-N
MW757.18 g/mol
LogP13.26
Rot. Bonds4

About [(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane

[(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane (PubChem CID 10700299) has the molecular formula C54H52Si2 and a molecular weight of 757.18 g/mol. Its IUPAC name is [(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane
PubChem CID10700299
Molecular FormulaC54H52Si2
Molecular Weight757.18 g/mol
Exact Mass756.36
IUPAC Name[(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane
SMILESC/C(C#Cc1ccc(/C2=C(\c3ccc(C#C/C(C)=C\C=C/C#C[Si](C)(C)C)cc3)c3c(C)cccc3/C=C\c3cccc(C)c32)cc1)=C/C=C\C#C[Si](C)(C)C
InChIInChI=1S/C54H52Si2/c1-41(19-13-11-15-39-55(5,6)7)25-27-45-29-33-49(34-30-45)53-51-43(3)21-17-23-47(51)37-38-48-24-18-22-44(4)52(48)54(53)50-35-31-46(32-36-50)28-26-42(2)20-14-12-16-40-56(8,9)10/h11-14,17-24,29-38H,1-10H3/b13-11-,14-12-,38-37-,41-19-,42-20-,47-37-,48-38-,53-51-,54-52-,54-53-
InChIKeyRDFCQNJPCIDJPV-QYYYMHBISA-N
XLogP13.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.18
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane?
The IUPAC name of [(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane (CID 10700299) is [(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane.
What is the SMILES notation for [(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane?
The canonical SMILES for [(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane is C/C(C#Cc1ccc(/C2=C(\c3ccc(C#C/C(C)=C\C=C/C#C[Si](C)(C)C)cc3)c3c(C)cccc3/C=C\c3cccc(C)c32)cc1)=C/C=C\C#C[Si](C)(C)C.
What is the InChIKey of [(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane?
The InChIKey is RDFCQNJPCIDJPV-QYYYMHBISA-N. The full InChI is InChI=1S/C54H52Si2/c1-41(19-13-11-15-39-55(5,6)7)25-27-45-29-33-49(34-30-45)53-51-43(3)21-17-23-47(51)37-38-48-24-18-22-44(4)52(48)54(53)50-35-31-46(32-36-50)28-26-42(2)20-14-12-16-40-56(8,9)10/h11-14,17-24,29-38H,1-10H3/b13-11-,14-12-,38-37-,41-19-,42-20-,47-37-,48-38-,53-51-,54-52-,54-53-.
What are the key properties of [(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane?
[(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane has a molecular weight of 757.18 g/mol, XLogP of 13.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5Z)-8-[4-[(2Z,10Z)-5,16-dimethyl-3-[4-[(3Z,5Z)-3-methyl-8-trimethylsilylocta-3,5-dien-1,7-diynyl]phenyl]-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl]phenyl]-6-methylocta-3,5-dien-1,7-diynyl]-trimethylsilane is sourced from PubChem (CID 10700299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).