[imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane

C39H39BN2Si — CID 159254824

IUPAC[imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane
SMILESCC(C)C=C[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1.c1ccc(B(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H24N2Si.C18H15B/c1-18(2)13-16-24-21(23-15-14-22-17-23,19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h3-18H,24H2,1-2H3;1-15H
InChIKeyKVTJJEVEUCMHNN-UHFFFAOYSA-N
MW574.65 g/mol
LogP6.17
Rot. Bonds9

About [imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane

[imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane (PubChem CID 159254824) has the molecular formula C39H39BN2Si and a molecular weight of 574.65 g/mol. Its IUPAC name is [imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane.

Molecular Properties

Compound Name[imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane
PubChem CID159254824
Molecular FormulaC39H39BN2Si
Molecular Weight574.65 g/mol
Exact Mass574.30
IUPAC Name[imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane
SMILESCC(C)C=C[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1.c1ccc(B(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H24N2Si.C18H15B/c1-18(2)13-16-24-21(23-15-14-22-17-23,19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h3-18H,24H2,1-2H3;1-15H
InChIKeyKVTJJEVEUCMHNN-UHFFFAOYSA-N
XLogP6.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.65
LogP ≤ 56.17
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

hex-4-en-2-yl-[imidazol-1-yl(diphenyl)methyl]silane
CID 158037076
[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane
CID 159151143
cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane
CID 161030074
CID 161272912
CID 161272912
[imidazol-1-yl-bis(4-methoxyphenyl)methyl]-phenylsilane
CID 157269768
[bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane
CID 173368039
CID 159482803
CID 159482803
ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane
CID 173368184
CID 159970432
CID 159970432
CID 158070521
CID 158070521
hex-2-en-2-yl-[imidazol-1-yl(diphenyl)methyl]silane
CID 158066396
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane
CID 158834428

Frequently Asked Questions

What is the IUPAC name of [imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane?
The IUPAC name of [imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane (CID 159254824) is [imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane.
What is the SMILES notation for [imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane?
The canonical SMILES for [imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane is CC(C)C=C[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1.c1ccc(B(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane?
The InChIKey is KVTJJEVEUCMHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2Si.C18H15B/c1-18(2)13-16-24-21(23-15-14-22-17-23,19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h3-18H,24H2,1-2H3;1-15H.
What are the key properties of [imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane?
[imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane has a molecular weight of 574.65 g/mol, XLogP of 6.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane is sourced from PubChem (CID 159254824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).