[bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane

C48H51BN2Si — CID 173368039

IUPAC[bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane
SMILESCCCCc1cccc(C([SiH2]c2ccccc2)(c2cccc(CCCC)c2)n2ccnc2)c1.c1ccc(B(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H36N2Si.C18H15B/c1-3-5-12-25-14-10-16-27(22-25)30(32-21-20-31-24-32,33-29-18-8-7-9-19-29)28-17-11-15-26(23-28)13-6-4-2;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h7-11,14-24H,3-6,12-13,33H2,1-2H3;1-15H
InChIKeyDIKRPMLWNYUTPJ-UHFFFAOYSA-N
MW694.85 g/mol
LogP8.01
Rot. Bonds14

About [bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane

[bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane (PubChem CID 173368039) has the molecular formula C48H51BN2Si and a molecular weight of 694.85 g/mol. Its IUPAC name is [bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane.

Molecular Properties

Compound Name[bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane
PubChem CID173368039
Molecular FormulaC48H51BN2Si
Molecular Weight694.85 g/mol
Exact Mass694.39
IUPAC Name[bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane
SMILESCCCCc1cccc(C([SiH2]c2ccccc2)(c2cccc(CCCC)c2)n2ccnc2)c1.c1ccc(B(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H36N2Si.C18H15B/c1-3-5-12-25-14-10-16-27(22-25)30(32-21-20-31-24-32,33-29-18-8-7-9-19-29)28-17-11-15-26(23-28)13-6-4-2;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h7-11,14-24H,3-6,12-13,33H2,1-2H3;1-15H
InChIKeyDIKRPMLWNYUTPJ-UHFFFAOYSA-N
XLogP8.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.85
LogP ≤ 58.01
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

[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane
CID 159151143
CID 158866073
CID 158866073
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane
CID 160914247
ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane
CID 173367983
CID 173368162
CID 173368162
[imidazol-1-yl-bis(4-methoxyphenyl)methyl]-phenylsilane
CID 157269768
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane
CID 159224210
CID 160574681
CID 160574681
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane
CID 158834428
[imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane
CID 159254824
CID 159482803
CID 159482803
hex-2-en-2-yl-[imidazol-1-yl(diphenyl)methyl]silane
CID 158066396

Frequently Asked Questions

What is the IUPAC name of [bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane?
The IUPAC name of [bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane (CID 173368039) is [bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane.
What is the SMILES notation for [bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane?
The canonical SMILES for [bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane is CCCCc1cccc(C([SiH2]c2ccccc2)(c2cccc(CCCC)c2)n2ccnc2)c1.c1ccc(B(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane?
The InChIKey is DIKRPMLWNYUTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2Si.C18H15B/c1-3-5-12-25-14-10-16-27(22-25)30(32-21-20-31-24-32,33-29-18-8-7-9-19-29)28-17-11-15-26(23-28)13-6-4-2;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h7-11,14-24H,3-6,12-13,33H2,1-2H3;1-15H.
What are the key properties of [bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane?
[bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane has a molecular weight of 694.85 g/mol, XLogP of 8.01, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane is sourced from PubChem (CID 173368039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).