cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane

C37H41BN2Si — CID 158251515

IUPACcyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane
SMILESCC=C(C)CC[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H26N2Si.C15H15B/c1-3-19(2)14-17-25-22(24-16-15-23-18-24,20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h3-13,15-16,18H,14,17,25H2,1-2H3;1-10,15H,11-12H2
InChIKeyGGTQNNSINCPHST-UHFFFAOYSA-N
MW552.65 g/mol
LogP7.04
Rot. Bonds10

About cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane

cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane (PubChem CID 158251515) has the molecular formula C37H41BN2Si and a molecular weight of 552.65 g/mol. Its IUPAC name is cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane.

Molecular Properties

Compound Namecyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane
PubChem CID158251515
Molecular FormulaC37H41BN2Si
Molecular Weight552.65 g/mol
Exact Mass552.31
IUPAC Namecyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane
SMILESCC=C(C)CC[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H26N2Si.C15H15B/c1-3-19(2)14-17-25-22(24-16-15-23-18-24,20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h3-13,15-16,18H,14,17,25H2,1-2H3;1-10,15H,11-12H2
InChIKeyGGTQNNSINCPHST-UHFFFAOYSA-N
XLogP7.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.65
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane?
The IUPAC name of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane (CID 158251515) is cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane.
What is the SMILES notation for cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane?
The canonical SMILES for cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane is CC=C(C)CC[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1.c1ccc(B(c2ccccc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane?
The InChIKey is GGTQNNSINCPHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2Si.C15H15B/c1-3-19(2)14-17-25-22(24-16-15-23-18-24,20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h3-13,15-16,18H,14,17,25H2,1-2H3;1-10,15H,11-12H2.
What are the key properties of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane?
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane has a molecular weight of 552.65 g/mol, XLogP of 7.04, 10 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]-(3-methylpent-3-enyl)silane is sourced from PubChem (CID 158251515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).