ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane

C41H43BN2Si — CID 173367983

IUPACethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane
SMILESC=CB(c1ccccc1)c1ccccc1.CCCCCc1ccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1
InChIInChI=1S/C27H30N2Si.C14H13B/c1-2-3-6-11-23-16-18-26(19-17-23)30-27(29-21-20-28-22-29,24-12-7-4-8-13-24)25-14-9-5-10-15-25;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h4-5,7-10,12-22H,2-3,6,11,30H2,1H3;2-12H,1H2
InChIKeyNXDKNKZNKSGMDP-UHFFFAOYSA-N
MW602.71 g/mol
LogP6.88
Rot. Bonds12

About ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane

ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane (PubChem CID 173367983) has the molecular formula C41H43BN2Si and a molecular weight of 602.71 g/mol. Its IUPAC name is ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane.

Molecular Properties

Compound Nameethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane
PubChem CID173367983
Molecular FormulaC41H43BN2Si
Molecular Weight602.71 g/mol
Exact Mass602.33
IUPAC Nameethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane
SMILESC=CB(c1ccccc1)c1ccccc1.CCCCCc1ccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1
InChIInChI=1S/C27H30N2Si.C14H13B/c1-2-3-6-11-23-16-18-26(19-17-23)30-27(29-21-20-28-22-29,24-12-7-4-8-13-24)25-14-9-5-10-15-25;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h4-5,7-10,12-22H,2-3,6,11,30H2,1H3;2-12H,1H2
InChIKeyNXDKNKZNKSGMDP-UHFFFAOYSA-N
XLogP6.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.71
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane
CID 159151143
[bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane
CID 173368039
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane
CID 160914247
ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane
CID 173368184
CID 158866073
CID 158866073
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane
CID 158834428
CID 159482803
CID 159482803
[imidazol-1-yl-bis(4-methoxyphenyl)methyl]-phenylsilane
CID 157269768
hex-2-en-2-yl-[imidazol-1-yl(diphenyl)methyl]silane
CID 158066396
CID 161292022
CID 161292022
CID 158070521
CID 158070521
CID 158188300
CID 158188300

Frequently Asked Questions

What is the IUPAC name of ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane?
The IUPAC name of ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane (CID 173367983) is ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane.
What is the SMILES notation for ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane?
The canonical SMILES for ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane is C=CB(c1ccccc1)c1ccccc1.CCCCCc1ccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1.
What is the InChIKey of ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane?
The InChIKey is NXDKNKZNKSGMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2Si.C14H13B/c1-2-3-6-11-23-16-18-26(19-17-23)30-27(29-21-20-28-22-29,24-12-7-4-8-13-24)25-14-9-5-10-15-25;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h4-5,7-10,12-22H,2-3,6,11,30H2,1H3;2-12H,1H2.
What are the key properties of ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane?
ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane has a molecular weight of 602.71 g/mol, XLogP of 6.88, 12 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]-(4-pentylphenyl)silane is sourced from PubChem (CID 173367983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).