ethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane

C50H32F2S2Si2 — CID 56943164

IUPACethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane
SMILESC=C[Si](C#Cc1c2cc3cc(F)sc3cc2c(C#C[Si](C=C)(c2ccccc2)c2ccccc2)c2cc3cc(F)sc3cc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H32F2S2Si2/c1-3-55(37-17-9-5-10-18-37,38-19-11-6-12-20-38)27-25-41-43-29-35-31-49(51)54-48(35)34-46(43)42(44-30-36-32-50(52)53-47(36)33-45(41)44)26-28-56(4-2,39-21-13-7-14-22-39)40-23-15-8-16-24-40/h3-24,29-34H,1-2H2
InChIKeyFSBHYTRXBAORDQ-UHFFFAOYSA-N
MW791.11 g/mol
LogP10.46
Rot. Bonds6

About ethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane

ethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane (PubChem CID 56943164) has the molecular formula C50H32F2S2Si2 and a molecular weight of 791.11 g/mol. Its IUPAC name is ethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane.

Molecular Properties

Compound Nameethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane
PubChem CID56943164
Molecular FormulaC50H32F2S2Si2
Molecular Weight791.11 g/mol
Exact Mass790.15
IUPAC Nameethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane
SMILESC=C[Si](C#Cc1c2cc3cc(F)sc3cc2c(C#C[Si](C=C)(c2ccccc2)c2ccccc2)c2cc3cc(F)sc3cc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H32F2S2Si2/c1-3-55(37-17-9-5-10-18-37,38-19-11-6-12-20-38)27-25-41-43-29-35-31-49(51)54-48(35)34-46(43)42(44-30-36-32-50(52)53-47(36)33-45(41)44)26-28-56(4-2,39-21-13-7-14-22-39)40-23-15-8-16-24-40/h3-24,29-34H,1-2H2
InChIKeyFSBHYTRXBAORDQ-UHFFFAOYSA-N
XLogP10.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.11
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane?
The IUPAC name of ethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane (CID 56943164) is ethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane.
What is the SMILES notation for ethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane?
The canonical SMILES for ethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane is C=C[Si](C#Cc1c2cc3cc(F)sc3cc2c(C#C[Si](C=C)(c2ccccc2)c2ccccc2)c2cc3cc(F)sc3cc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane?
The InChIKey is FSBHYTRXBAORDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32F2S2Si2/c1-3-55(37-17-9-5-10-18-37,38-19-11-6-12-20-38)27-25-41-43-29-35-31-49(51)54-48(35)34-46(43)42(44-30-36-32-50(52)53-47(36)33-45(41)44)26-28-56(4-2,39-21-13-7-14-22-39)40-23-15-8-16-24-40/h3-24,29-34H,1-2H2.
What are the key properties of ethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane?
ethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane has a molecular weight of 791.11 g/mol, XLogP of 10.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[2-[12-[2-[ethenyl(diphenyl)silyl]ethynyl]-7,17-difluoro-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]-diphenylsilane is sourced from PubChem (CID 56943164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).