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

C34H35BN2Si — CID 67904530

IUPACcyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane
SMILESc1ccc(B(c2ccccc2)C2CC2)cc1.c1ccc([Si](Cn2ccnc2)(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C19H20N2Si.C15H15B/c1-3-7-17(8-4-1)22(19-11-12-19,16-21-14-13-20-15-21)18-9-5-2-6-10-18;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h1-10,13-15,19H,11-12,16H2;1-10,15H,11-12H2
InChIKeyZYUCIZTVLPBXSQ-UHFFFAOYSA-N
MW510.57 g/mol
LogP5.31
Rot. Bonds8

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

cyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane (PubChem CID 67904530) has the molecular formula C34H35BN2Si and a molecular weight of 510.57 g/mol. Its IUPAC name is cyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane.

Molecular Properties

Compound Namecyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane
PubChem CID67904530
Molecular FormulaC34H35BN2Si
Molecular Weight510.57 g/mol
Exact Mass510.27
IUPAC Namecyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane
SMILESc1ccc(B(c2ccccc2)C2CC2)cc1.c1ccc([Si](Cn2ccnc2)(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C19H20N2Si.C15H15B/c1-3-7-17(8-4-1)22(19-11-12-19,16-21-14-13-20-15-21)18-9-5-2-6-10-18;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h1-10,13-15,19H,11-12,16H2;1-10,15H,11-12H2
InChIKeyZYUCIZTVLPBXSQ-UHFFFAOYSA-N
XLogP5.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.57
LogP ≤ 55.31
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

1-(Triphenylstannyl)-1H-imidazole
CID 273084
3-(N,N-dimethylsulfamoyl)-1-methyl-1H-imidazol-3-
CID 3237940
3-((Dimethylamino)carbonyl)-1-methyl-1H-imidazol-3-ium tetraphenylborate(1-)
CID 13481248
3-Ethyl-1-methyl-1H-imidazol-3-ium tetraphenylborate
CID 12392667
1-Butyl-3-methylimidazolium tetraphenylborate
CID 25142186
(1-Methylimidazol-2-yl)-triphenylphosphanium
CID 91195855
1-Hexyl-3-methylimidazolium tetraphenylborate
CID 129853774
1-Butyl-3-methylimidazol-3-ium;tetrakis[4-[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]phenyl]boranuide
CID 11815802
(4-Fluorophenyl)-(imidazol-1-ylmethyl)-methyl-phenylsilane
CID 13392452
Bis(4-fluorophenyl)-(imidazol-1-ylmethyl)-methylsilane
CID 13392458
Tris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane
CID 13392465
Bis(4-fluorophenyl)-(1-imidazol-1-ylethyl)-methylsilane
CID 54517481

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane?
The IUPAC name of cyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane (CID 67904530) is cyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane.
What is the SMILES notation for cyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane?
The canonical SMILES for cyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane is c1ccc(B(c2ccccc2)C2CC2)cc1.c1ccc([Si](Cn2ccnc2)(c2ccccc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane?
The InChIKey is ZYUCIZTVLPBXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2Si.C15H15B/c1-3-7-17(8-4-1)22(19-11-12-19,16-21-14-13-20-15-21)18-9-5-2-6-10-18;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h1-10,13-15,19H,11-12,16H2;1-10,15H,11-12H2.
What are the key properties of cyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane?
cyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane has a molecular weight of 510.57 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(diphenyl)borane;cyclopropyl-(imidazol-1-ylmethyl)-diphenylsilane is sourced from PubChem (CID 67904530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).