cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane

C37H41BN2Si — CID 161030074

IUPACcyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane
SMILESCCC(=C[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1)CC.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H26N2Si.C15H15B/c1-3-19(4-2)17-25-22(24-16-15-23-18-24,20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h5-18H,3-4,25H2,1-2H3;1-10,15H,11-12H2
InChIKeyTZMLKZQZQDXLJN-UHFFFAOYSA-N
MW552.65 g/mol
LogP6.96
Rot. Bonds10

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

cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane (PubChem CID 161030074) has the molecular formula C37H41BN2Si and a molecular weight of 552.65 g/mol. Its IUPAC name is cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane.

Molecular Properties

Compound Namecyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane
PubChem CID161030074
Molecular FormulaC37H41BN2Si
Molecular Weight552.65 g/mol
Exact Mass552.31
IUPAC Namecyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane
SMILESCCC(=C[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1)CC.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H26N2Si.C15H15B/c1-3-19(4-2)17-25-22(24-16-15-23-18-24,20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h5-18H,3-4,25H2,1-2H3;1-10,15H,11-12H2
InChIKeyTZMLKZQZQDXLJN-UHFFFAOYSA-N
XLogP6.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.65
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane
CID 158251515
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane
CID 158834428
CID 159970432
CID 159970432
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane
CID 160914247
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane
CID 159224210
but-1-enyl-ethyl-[imidazol-1-yl(diphenyl)methyl]silane;cyclopropyl(diphenyl)borane
CID 173368009
[imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane
CID 159254824
hex-2-en-2-yl-[imidazol-1-yl(diphenyl)methyl]silane
CID 158066396
ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane
CID 173368184
CID 158188300
CID 158188300
ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane
CID 173367983
[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane
CID 159151143

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane?
The IUPAC name of cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane (CID 161030074) is cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane.
What is the SMILES notation for cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane?
The canonical SMILES for cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane is CCC(=C[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1)CC.c1ccc(B(c2ccccc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane?
The InChIKey is TZMLKZQZQDXLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2Si.C15H15B/c1-3-19(4-2)17-25-22(24-16-15-23-18-24,20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h5-18H,3-4,25H2,1-2H3;1-10,15H,11-12H2.
What are the key properties of cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane?
cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane has a molecular weight of 552.65 g/mol, XLogP of 6.96, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane is sourced from PubChem (CID 161030074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).