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

C42H45BN2Si — CID 160914247

IUPACcyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane
SMILESCCCCCc1cccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)c1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C27H30N2Si.C15H15B/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;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h4-5,7-11,13-22H,2-3,6,12,30H2,1H3;1-10,15H,11-12H2
InChIKeySREPXUNBIVLYME-UHFFFAOYSA-N
MW616.73 g/mol
LogP7.32
Rot. Bonds12

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

cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane (PubChem CID 160914247) has the molecular formula C42H45BN2Si and a molecular weight of 616.73 g/mol. Its IUPAC name is cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane.

Molecular Properties

Compound Namecyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane
PubChem CID160914247
Molecular FormulaC42H45BN2Si
Molecular Weight616.73 g/mol
Exact Mass616.34
IUPAC Namecyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane
SMILESCCCCCc1cccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)c1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C27H30N2Si.C15H15B/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;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h4-5,7-11,13-22H,2-3,6,12,30H2,1H3;1-10,15H,11-12H2
InChIKeySREPXUNBIVLYME-UHFFFAOYSA-N
XLogP7.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.73
LogP ≤ 57.32
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
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane
CID 159224210
CID 158866073
CID 158866073
[bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane
CID 173368039
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane
CID 158834428
ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane
CID 173367983
cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane
CID 161030074
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane
CID 158251515
CID 160574681
CID 160574681
[imidazol-1-yl-bis(4-methoxyphenyl)methyl]-phenylsilane
CID 157269768
CID 158188300
CID 158188300
CID 159482803
CID 159482803

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane?
The IUPAC name of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane (CID 160914247) is cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane.
What is the SMILES notation for cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane?
The canonical SMILES for cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane is CCCCCc1cccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)c1.c1ccc(B(c2ccccc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane?
The InChIKey is SREPXUNBIVLYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2Si.C15H15B/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;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h4-5,7-11,13-22H,2-3,6,12,30H2,1H3;1-10,15H,11-12H2.
What are the key properties of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane?
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane has a molecular weight of 616.73 g/mol, XLogP of 7.32, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane is sourced from PubChem (CID 160914247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).