triethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane

C54H58O8Si2 — CID 101413684

IUPACtriethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane
SMILESCCO[Si](/C=C/c1ccc(-c2cc(-c3ccccc3)c(-c3ccc(-c4oc(-c5ccc(/C=C/[Si](OCC)(OCC)OCC)cc5)cc4-c4ccccc4)cc3)o2)cc1)(OCC)OCC
InChIInChI=1S/C54H58O8Si2/c1-7-55-63(56-8-2,57-9-3)37-35-41-23-27-45(28-24-41)51-39-49(43-19-15-13-16-20-43)53(61-51)47-31-33-48(34-32-47)54-50(44-21-17-14-18-22-44)40-52(62-54)46-29-25-42(26-30-46)36-38-64(58-10-4,59-11-5)60-12-6/h13-40H,7-12H2,1-6H3/b37-35+,38-36+
InChIKeyWSRHLTWMIVPZQZ-ATXIYDNESA-N
MW891.22 g/mol
LogP14.08
Rot. Bonds22

About triethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane

triethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane (PubChem CID 101413684) has the molecular formula C54H58O8Si2 and a molecular weight of 891.22 g/mol. Its IUPAC name is triethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane.

Molecular Properties

Compound Nametriethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane
PubChem CID101413684
Molecular FormulaC54H58O8Si2
Molecular Weight891.22 g/mol
Exact Mass890.37
IUPAC Nametriethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane
SMILESCCO[Si](/C=C/c1ccc(-c2cc(-c3ccccc3)c(-c3ccc(-c4oc(-c5ccc(/C=C/[Si](OCC)(OCC)OCC)cc5)cc4-c4ccccc4)cc3)o2)cc1)(OCC)OCC
InChIInChI=1S/C54H58O8Si2/c1-7-55-63(56-8-2,57-9-3)37-35-41-23-27-45(28-24-41)51-39-49(43-19-15-13-16-20-43)53(61-51)47-31-33-48(34-32-47)54-50(44-21-17-14-18-22-44)40-52(62-54)46-29-25-42(26-30-46)36-38-64(58-10-4,59-11-5)60-12-6/h13-40H,7-12H2,1-6H3/b37-35+,38-36+
InChIKeyWSRHLTWMIVPZQZ-ATXIYDNESA-N
XLogP14.08
TPSA81.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.22
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[2-[4-(2-triethoxysilylethenyl)phenyl]ethenyl]silane
CID 68851094
5-(4-methoxyphenyl)-2,3-diphenylfuran
CID 2733040
[(E)-2-phenylethenyl]-tripropoxysilane
CID 22325671
5-(3-fluorophenyl)-2,3-diphenylfuran
CID 177412332
3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran
CID 175558606
4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile
CID 53349945
ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate
CID 100921734
5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan
CID 71317707
2-[1-(3,5-diphenylfuran-2-yl)propyl]-3,5-diphenylfuran
CID 102516558
trihexoxy(2-phenylethenyl)silane
CID 145052081
2-chloro-3,5-diphenylfuran
CID 10824877
4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile
CID 53349735

Frequently Asked Questions

What is the IUPAC name of triethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane?
The IUPAC name of triethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane (CID 101413684) is triethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane.
What is the SMILES notation for triethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane?
The canonical SMILES for triethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane is CCO[Si](/C=C/c1ccc(-c2cc(-c3ccccc3)c(-c3ccc(-c4oc(-c5ccc(/C=C/[Si](OCC)(OCC)OCC)cc5)cc4-c4ccccc4)cc3)o2)cc1)(OCC)OCC.
What is the InChIKey of triethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane?
The InChIKey is WSRHLTWMIVPZQZ-ATXIYDNESA-N. The full InChI is InChI=1S/C54H58O8Si2/c1-7-55-63(56-8-2,57-9-3)37-35-41-23-27-45(28-24-41)51-39-49(43-19-15-13-16-20-43)53(61-51)47-31-33-48(34-32-47)54-50(44-21-17-14-18-22-44)40-52(62-54)46-29-25-42(26-30-46)36-38-64(58-10-4,59-11-5)60-12-6/h13-40H,7-12H2,1-6H3/b37-35+,38-36+.
What are the key properties of triethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane?
triethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane has a molecular weight of 891.22 g/mol, XLogP of 14.08, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(E)-2-[4-[4-phenyl-5-[4-[3-phenyl-5-[4-[(E)-2-triethoxysilylethenyl]phenyl]furan-2-yl]phenyl]furan-2-yl]phenyl]ethenyl]silane is sourced from PubChem (CID 101413684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).