cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane

C35H39BN2Si — CID 67903777

IUPACcyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane
SMILESCC(C)C[Si](Cn1ccnc1)(c1ccccc1)c1ccccc1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H24N2Si.C15H15B/c1-18(2)15-23(17-22-14-13-21-16-22,19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h3-14,16,18H,15,17H2,1-2H3;1-10,15H,11-12H2
InChIKeyUSIQBETUJNAJJQ-UHFFFAOYSA-N
MW526.61 g/mol
LogP5.80
Rot. Bonds9

About cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane

cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane (PubChem CID 67903777) has the molecular formula C35H39BN2Si and a molecular weight of 526.61 g/mol. Its IUPAC name is cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane.

Molecular Properties

Compound Namecyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane
PubChem CID67903777
Molecular FormulaC35H39BN2Si
Molecular Weight526.61 g/mol
Exact Mass526.30
IUPAC Namecyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane
SMILESCC(C)C[Si](Cn1ccnc1)(c1ccccc1)c1ccccc1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H24N2Si.C15H15B/c1-18(2)15-23(17-22-14-13-21-16-22,19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h3-14,16,18H,15,17H2,1-2H3;1-10,15H,11-12H2
InChIKeyUSIQBETUJNAJJQ-UHFFFAOYSA-N
XLogP5.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.61
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane?
The IUPAC name of cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane (CID 67903777) is cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane.
What is the SMILES notation for cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane?
The canonical SMILES for cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane is CC(C)C[Si](Cn1ccnc1)(c1ccccc1)c1ccccc1.c1ccc(B(c2ccccc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane?
The InChIKey is USIQBETUJNAJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2Si.C15H15B/c1-18(2)15-23(17-22-14-13-21-16-22,19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h3-14,16,18H,15,17H2,1-2H3;1-10,15H,11-12H2.
What are the key properties of cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane?
cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane has a molecular weight of 526.61 g/mol, XLogP of 5.80, 9 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-ylmethyl-(2-methylpropyl)-diphenylsilane is sourced from PubChem (CID 67903777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).