dihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane

C29H26O2Si — CID 132600535

IUPACdihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane
SMILESC[Si](O)(O)/C=C/c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H26O2Si/c1-32(30,31)22-21-23-17-19-27(20-18-23)29(26-15-9-4-10-16-26)28(24-11-5-2-6-12-24)25-13-7-3-8-14-25/h2-22,30-31H,1H3/b22-21+
InChIKeyCNQMZCNMXWQMMA-QURGRASLSA-N
MW434.61 g/mol
LogP6.30
Rot. Bonds6

About dihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane

dihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane (PubChem CID 132600535) has the molecular formula C29H26O2Si and a molecular weight of 434.61 g/mol. Its IUPAC name is dihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane.

Molecular Properties

Compound Namedihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane
PubChem CID132600535
Molecular FormulaC29H26O2Si
Molecular Weight434.61 g/mol
Exact Mass434.17
IUPAC Namedihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane
SMILESC[Si](O)(O)/C=C/c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H26O2Si/c1-32(30,31)22-21-23-17-19-27(20-18-23)29(26-15-9-4-10-16-26)28(24-11-5-2-6-12-24)25-13-7-3-8-14-25/h2-22,30-31H,1H3/b22-21+
InChIKeyCNQMZCNMXWQMMA-QURGRASLSA-N
XLogP6.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane?
The IUPAC name of dihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane (CID 132600535) is dihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane.
What is the SMILES notation for dihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane?
The canonical SMILES for dihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane is C[Si](O)(O)/C=C/c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane?
The InChIKey is CNQMZCNMXWQMMA-QURGRASLSA-N. The full InChI is InChI=1S/C29H26O2Si/c1-32(30,31)22-21-23-17-19-27(20-18-23)29(26-15-9-4-10-16-26)28(24-11-5-2-6-12-24)25-13-7-3-8-14-25/h2-22,30-31H,1H3/b22-21+.
What are the key properties of dihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane?
dihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane has a molecular weight of 434.61 g/mol, XLogP of 6.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane is sourced from PubChem (CID 132600535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).