ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane

C35H37BN2Si — CID 173368184

IUPACethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane
SMILESC=CB(c1ccccc1)c1ccccc1.CC=C(C)C[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1
InChIInChI=1S/C21H24N2Si.C14H13B/c1-3-18(2)16-24-21(23-15-14-22-17-23,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-15,17H,16,24H2,1-2H3;2-12H,1H2
InChIKeyPVPUETLQTUDFER-UHFFFAOYSA-N
MW524.59 g/mol
LogP6.21
Rot. Bonds9

About ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane

ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane (PubChem CID 173368184) has the molecular formula C35H37BN2Si and a molecular weight of 524.59 g/mol. Its IUPAC name is ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane.

Molecular Properties

Compound Nameethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane
PubChem CID173368184
Molecular FormulaC35H37BN2Si
Molecular Weight524.59 g/mol
Exact Mass524.28
IUPAC Nameethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane
SMILESC=CB(c1ccccc1)c1ccccc1.CC=C(C)C[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1
InChIInChI=1S/C21H24N2Si.C14H13B/c1-3-18(2)16-24-21(23-15-14-22-17-23,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-15,17H,16,24H2,1-2H3;2-12H,1H2
InChIKeyPVPUETLQTUDFER-UHFFFAOYSA-N
XLogP6.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.59
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane
CID 173367983
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane
CID 158251515
CID 158188300
CID 158188300
hex-2-en-2-yl-[imidazol-1-yl(diphenyl)methyl]silane
CID 158066396
[imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane
CID 159254824
cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane
CID 161030074
hex-4-en-2-yl-[imidazol-1-yl(diphenyl)methyl]silane
CID 158037076
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane
CID 158834428
[imidazol-1-yl-bis(4-methoxyphenyl)methyl]-phenylsilane
CID 157269768
CID 162009695
CID 162009695
acetic acid;1-tritylimidazole
CID 67535266
CID 159482803
CID 159482803

Frequently Asked Questions

What is the IUPAC name of ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane?
The IUPAC name of ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane (CID 173368184) is ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane.
What is the SMILES notation for ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane?
The canonical SMILES for ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane is C=CB(c1ccccc1)c1ccccc1.CC=C(C)C[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1.
What is the InChIKey of ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane?
The InChIKey is PVPUETLQTUDFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2Si.C14H13B/c1-3-18(2)16-24-21(23-15-14-22-17-23,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-15,17H,16,24H2,1-2H3;2-12H,1H2.
What are the key properties of ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane?
ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane has a molecular weight of 524.59 g/mol, XLogP of 6.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane is sourced from PubChem (CID 173368184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).