cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane

C36H39BN2Si — CID 67904024

IUPACcyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane
SMILESC=CB(c1ccccc1)c1ccccc1.c1ccc([Si](Cn2ccnc2)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C22H26N2Si.C14H13B/c1-4-10-20(11-5-1)25(19-24-17-16-23-18-24,21-12-6-2-7-13-21)22-14-8-3-9-15-22;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1-2,4-7,10-13,16-18,22H,3,8-9,14-15,19H2;2-12H,1H2
InChIKeyOZNLAWMNAJCBBC-UHFFFAOYSA-N
MW538.62 g/mol
LogP6.04
Rot. Bonds8

About cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane

cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane (PubChem CID 67904024) has the molecular formula C36H39BN2Si and a molecular weight of 538.62 g/mol. Its IUPAC name is cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane.

Molecular Properties

Compound Namecyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane
PubChem CID67904024
Molecular FormulaC36H39BN2Si
Molecular Weight538.62 g/mol
Exact Mass538.30
IUPAC Namecyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane
SMILESC=CB(c1ccccc1)c1ccccc1.c1ccc([Si](Cn2ccnc2)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C22H26N2Si.C14H13B/c1-4-10-20(11-5-1)25(19-24-17-16-23-18-24,21-12-6-2-7-13-21)22-14-8-3-9-15-22;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1-2,4-7,10-13,16-18,22H,3,8-9,14-15,19H2;2-12H,1H2
InChIKeyOZNLAWMNAJCBBC-UHFFFAOYSA-N
XLogP6.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.62
LogP ≤ 56.04
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 cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane?
The IUPAC name of cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane (CID 67904024) is cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane.
What is the SMILES notation for cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane?
The canonical SMILES for cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane is C=CB(c1ccccc1)c1ccccc1.c1ccc([Si](Cn2ccnc2)(c2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane?
The InChIKey is OZNLAWMNAJCBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2Si.C14H13B/c1-4-10-20(11-5-1)25(19-24-17-16-23-18-24,21-12-6-2-7-13-21)22-14-8-3-9-15-22;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1-2,4-7,10-13,16-18,22H,3,8-9,14-15,19H2;2-12H,1H2.
What are the key properties of cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane?
cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane has a molecular weight of 538.62 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane is sourced from PubChem (CID 67904024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).