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

C45H45BN2Si — CID 159151143

IUPAC[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane
SMILESCCCCCc1cccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)c1.c1ccc(B(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H30N2Si.C18H15B/c1-2-3-6-12-23-13-11-18-26(21-23)30-27(29-20-19-28-22-29,24-14-7-4-8-15-24)25-16-9-5-10-17-25;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4-5,7-11,13-22H,2-3,6,12,30H2,1H3;1-15H
InChIKeyKJHNXIMPKJXPHE-UHFFFAOYSA-N
MW652.77 g/mol
LogP7.06
Rot. Bonds12

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

[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane (PubChem CID 159151143) has the molecular formula C45H45BN2Si and a molecular weight of 652.77 g/mol. Its IUPAC name is [imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane.

Molecular Properties

Compound Name[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane
PubChem CID159151143
Molecular FormulaC45H45BN2Si
Molecular Weight652.77 g/mol
Exact Mass652.34
IUPAC Name[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane
SMILESCCCCCc1cccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)c1.c1ccc(B(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H30N2Si.C18H15B/c1-2-3-6-12-23-13-11-18-26(21-23)30-27(29-20-19-28-22-29,24-14-7-4-8-15-24)25-16-9-5-10-17-25;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4-5,7-11,13-22H,2-3,6,12,30H2,1H3;1-15H
InChIKeyKJHNXIMPKJXPHE-UHFFFAOYSA-N
XLogP7.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.77
LogP ≤ 57.06
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

[bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane
CID 173368039
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane
CID 160914247
CID 158866073
CID 158866073
ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane
CID 173367983
CID 160574681
CID 160574681
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane
CID 159224210
[imidazol-1-yl-bis(4-methoxyphenyl)methyl]-phenylsilane
CID 157269768
[imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane
CID 159254824
CID 158188300
CID 158188300
CID 159482803
CID 159482803
CID 173368162
CID 173368162
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-pentylphenyl)silane;triphenylborane?
The IUPAC name of [imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane (CID 159151143) is [imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane.
What is the SMILES notation for [imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane?
The canonical SMILES for [imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane is CCCCCc1cccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)c1.c1ccc(B(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane?
The InChIKey is KJHNXIMPKJXPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2Si.C18H15B/c1-2-3-6-12-23-13-11-18-26(21-23)30-27(29-20-19-28-22-29,24-14-7-4-8-15-24)25-16-9-5-10-17-25;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4-5,7-11,13-22H,2-3,6,12,30H2,1H3;1-15H.
What are the key properties of [imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane?
[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane has a molecular weight of 652.77 g/mol, XLogP of 7.06, 12 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-pentylphenyl)silane;triphenylborane is sourced from PubChem (CID 159151143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).