cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane

C38H37BN2Si — CID 158834428

IUPACcyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane
SMILESCc1ccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C23H22N2Si.C15H15B/c1-19-12-14-22(15-13-19)26-23(25-17-16-24-18-25,20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h2-18H,26H2,1H3;1-10,15H,11-12H2
InChIKeyIXLKJGFINUCRHC-UHFFFAOYSA-N
MW560.63 g/mol
LogP5.89
Rot. Bonds8

About cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane

cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane (PubChem CID 158834428) has the molecular formula C38H37BN2Si and a molecular weight of 560.63 g/mol. Its IUPAC name is cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane.

Molecular Properties

Compound Namecyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane
PubChem CID158834428
Molecular FormulaC38H37BN2Si
Molecular Weight560.63 g/mol
Exact Mass560.28
IUPAC Namecyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane
SMILESCc1ccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C23H22N2Si.C15H15B/c1-19-12-14-22(15-13-19)26-23(25-17-16-24-18-25,20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h2-18H,26H2,1H3;1-10,15H,11-12H2
InChIKeyIXLKJGFINUCRHC-UHFFFAOYSA-N
XLogP5.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.63
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane?
The IUPAC name of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane (CID 158834428) is cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane.
What is the SMILES notation for cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane?
The canonical SMILES for cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane is Cc1ccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1.c1ccc(B(c2ccccc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane?
The InChIKey is IXLKJGFINUCRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2Si.C15H15B/c1-19-12-14-22(15-13-19)26-23(25-17-16-24-18-25,20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h2-18H,26H2,1H3;1-10,15H,11-12H2.
What are the key properties of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane?
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane has a molecular weight of 560.63 g/mol, XLogP of 5.89, 8 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]-(4-methylphenyl)silane is sourced from PubChem (CID 158834428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).