2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde

C31H28O3Si — CID 163323298

IUPAC2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde
SMILESC[Si](C)(C)Oc1c(C=O)cc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1C=O
InChIInChI=1S/C31H28O3Si/c1-35(2,3)34-31-27(21-32)19-26(20-28(31)22-33)30(25-17-11-6-12-18-25)29(23-13-7-4-8-14-23)24-15-9-5-10-16-24/h4-22H,1-3H3
InChIKeyMCJCSTSJPWEAOS-UHFFFAOYSA-N
MW476.65 g/mol
LogP7.53
Rot. Bonds8

About 2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde

2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde (PubChem CID 163323298) has the molecular formula C31H28O3Si and a molecular weight of 476.65 g/mol. Its IUPAC name is 2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde
PubChem CID163323298
Molecular FormulaC31H28O3Si
Molecular Weight476.65 g/mol
Exact Mass476.18
IUPAC Name2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde
SMILESC[Si](C)(C)Oc1c(C=O)cc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1C=O
InChIInChI=1S/C31H28O3Si/c1-35(2,3)34-31-27(21-32)19-26(20-28(31)22-33)30(25-17-11-6-12-18-25)29(23-13-7-4-8-14-23)24-15-9-5-10-16-24/h4-22H,1-3H3
InChIKeyMCJCSTSJPWEAOS-UHFFFAOYSA-N
XLogP7.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.65
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-formyl-5-methoxy-4-trimethylsilyloxybenzoic acid
CID 167740684
3-fluoro-5-methoxy-2-trimethylsilyloxybenzaldehyde
CID 167718769
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
ethyl 3-formyl-4-trimethylsilyloxybenzoate
CID 167723908
CID 67882804
CID 67882804
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
dihydroxy-methyl-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]silane
CID 132600535
3-(4-formylnaphthalene-2-carbonyl)naphthalene-1-carbaldehyde
CID 91127405
2-pyrrol-1-ylquinoline-4-carbaldehyde
CID 89372719
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
4-benzoylphthalaldehyde
CID 175060465
2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde
CID 146013313

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde?
The IUPAC name of 2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde (CID 163323298) is 2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde.
What is the SMILES notation for 2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde?
The canonical SMILES for 2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde is C[Si](C)(C)Oc1c(C=O)cc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1C=O.
What is the InChIKey of 2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde?
The InChIKey is MCJCSTSJPWEAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O3Si/c1-35(2,3)34-31-27(21-32)19-26(20-28(31)22-33)30(25-17-11-6-12-18-25)29(23-13-7-4-8-14-23)24-15-9-5-10-16-24/h4-22H,1-3H3.
What are the key properties of 2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde?
2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde has a molecular weight of 476.65 g/mol, XLogP of 7.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxy-5-(1,2,2-triphenylethenyl)benzene-1,3-dicarbaldehyde is sourced from PubChem (CID 163323298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).