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

C40H41BN2OSi — CID 159224210

IUPACcyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane
SMILESCCCOc1cccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)c1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C25H26N2OSi.C15H15B/c1-2-18-28-23-14-9-15-24(19-23)29-25(27-17-16-26-20-27,21-10-5-3-6-11-21)22-12-7-4-8-13-22;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h3-17,19-20H,2,18,29H2,1H3;1-10,15H,11-12H2
InChIKeyKSBSKNRYHGLXBD-UHFFFAOYSA-N
MW604.68 g/mol
LogP6.38
Rot. Bonds11

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

cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane (PubChem CID 159224210) has the molecular formula C40H41BN2OSi and a molecular weight of 604.68 g/mol. Its IUPAC name is cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane.

Molecular Properties

Compound Namecyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane
PubChem CID159224210
Molecular FormulaC40H41BN2OSi
Molecular Weight604.68 g/mol
Exact Mass604.31
IUPAC Namecyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane
SMILESCCCOc1cccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)c1.c1ccc(B(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C25H26N2OSi.C15H15B/c1-2-18-28-23-14-9-15-24(19-23)29-25(27-17-16-26-20-27,21-10-5-3-6-11-21)22-12-7-4-8-13-22;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h3-17,19-20H,2,18,29H2,1H3;1-10,15H,11-12H2
InChIKeyKSBSKNRYHGLXBD-UHFFFAOYSA-N
XLogP6.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.68
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 160574681
CID 160574681
[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane
CID 159151143
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane
CID 158251515
[imidazol-1-yl-bis(4-methoxyphenyl)methyl]-phenylsilane
CID 157269768
CID 67903950
CID 67903950
CID 158866073
CID 158866073
hex-2-en-2-yl-[imidazol-1-yl(diphenyl)methyl]silane
CID 158066396
CID 173368162
CID 173368162
CID 161292022
CID 161292022
[imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane
CID 159254824
CID 159970432
CID 159970432
cyclopropyl(diphenyl)borane;imidazol-1-ylmethyl-(2-methylpropyl)-diphenylsilane
CID 67903777

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane?
The IUPAC name of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane (CID 159224210) is cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane.
What is the SMILES notation for cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane?
The canonical SMILES for cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane is CCCOc1cccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)c1.c1ccc(B(c2ccccc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane?
The InChIKey is KSBSKNRYHGLXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2OSi.C15H15B/c1-2-18-28-23-14-9-15-24(19-23)29-25(27-17-16-26-20-27,21-10-5-3-6-11-21)22-12-7-4-8-13-22;1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14/h3-17,19-20H,2,18,29H2,1H3;1-10,15H,11-12H2.
What are the key properties of cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane?
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane has a molecular weight of 604.68 g/mol, XLogP of 6.38, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane is sourced from PubChem (CID 159224210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).