cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane

C34H37BN2Si — CID 67904027

IUPACcyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane
SMILESCC(C)[Si](Cn1ccnc1)(c1ccccc1)c1ccccc1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C19H22N2Si.C15H15B/c1-17(2)22(16-21-14-13-20-15-21,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h3-15,17H,16H2,1-2H3;1-10,15H,11-12H2
InChIKeyDOMXZOCZTJEZSX-UHFFFAOYSA-N
MW512.58 g/mol
LogP5.56
Rot. Bonds8

About cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane

cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane (PubChem CID 67904027) has the molecular formula C34H37BN2Si and a molecular weight of 512.58 g/mol. Its IUPAC name is cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane.

Molecular Properties

Compound Namecyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane
PubChem CID67904027
Molecular FormulaC34H37BN2Si
Molecular Weight512.58 g/mol
Exact Mass512.28
IUPAC Namecyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane
SMILESCC(C)[Si](Cn1ccnc1)(c1ccccc1)c1ccccc1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C19H22N2Si.C15H15B/c1-17(2)22(16-21-14-13-20-15-21,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h3-15,17H,16H2,1-2H3;1-10,15H,11-12H2
InChIKeyDOMXZOCZTJEZSX-UHFFFAOYSA-N
XLogP5.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.58
LogP ≤ 55.56
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-diphenyl-propan-2-ylsilane?
The IUPAC name of cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane (CID 67904027) is cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane.
What is the SMILES notation for cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane?
The canonical SMILES for cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane is CC(C)[Si](Cn1ccnc1)(c1ccccc1)c1ccccc1.c1ccc(B(c2ccccc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane?
The InChIKey is DOMXZOCZTJEZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2Si.C15H15B/c1-17(2)22(16-21-14-13-20-15-21,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h3-15,17H,16H2,1-2H3;1-10,15H,11-12H2.
What are the key properties of cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane?
cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-diphenyl-propan-2-ylsilane has a molecular weight of 512.58 g/mol, XLogP of 5.56, 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-ylmethyl-diphenyl-propan-2-ylsilane is sourced from PubChem (CID 67904027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).