butyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane

C52H52N4O2Si — CID 163933615

IUPACbutyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane
SMILESCCCC[Si](C)(C)CCCOc1ccc(C2(n3c(-c4ccc(OC)cc4)nc(-c4ccccc4)c3-c3ccccc3)N=C(c3ccccc3)C(c3ccccc3)=N2)cc1
InChIInChI=1S/C52H52N4O2Si/c1-5-6-37-59(3,4)38-19-36-58-46-34-30-44(31-35-46)52(54-47(39-20-11-7-12-21-39)48(55-52)40-22-13-8-14-23-40)56-50(42-26-17-10-18-27-42)49(41-24-15-9-16-25-41)53-51(56)43-28-32-45(57-2)33-29-43/h7-18,20-35H,5-6,19,36-38H2,1-4H3
InChIKeyRKVAQODKCWHIEP-UHFFFAOYSA-N
MW793.10 g/mol
LogP12.82
Rot. Bonds16

About butyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane

butyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane (PubChem CID 163933615) has the molecular formula C52H52N4O2Si and a molecular weight of 793.10 g/mol. Its IUPAC name is butyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane.

Molecular Properties

Compound Namebutyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane
PubChem CID163933615
Molecular FormulaC52H52N4O2Si
Molecular Weight793.10 g/mol
Exact Mass792.39
IUPAC Namebutyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane
SMILESCCCC[Si](C)(C)CCCOc1ccc(C2(n3c(-c4ccc(OC)cc4)nc(-c4ccccc4)c3-c3ccccc3)N=C(c3ccccc3)C(c3ccccc3)=N2)cc1
InChIInChI=1S/C52H52N4O2Si/c1-5-6-37-59(3,4)38-19-36-58-46-34-30-44(31-35-46)52(54-47(39-20-11-7-12-21-39)48(55-52)40-22-13-8-14-23-40)56-50(42-26-17-10-18-27-42)49(41-24-15-9-16-25-41)53-51(56)43-28-32-45(57-2)33-29-43/h7-18,20-35H,5-6,19,36-38H2,1-4H3
InChIKeyRKVAQODKCWHIEP-UHFFFAOYSA-N
XLogP12.82
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.10
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane?
The IUPAC name of butyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane (CID 163933615) is butyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane.
What is the SMILES notation for butyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane?
The canonical SMILES for butyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane is CCCC[Si](C)(C)CCCOc1ccc(C2(n3c(-c4ccc(OC)cc4)nc(-c4ccccc4)c3-c3ccccc3)N=C(c3ccccc3)C(c3ccccc3)=N2)cc1.
What is the InChIKey of butyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane?
The InChIKey is RKVAQODKCWHIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H52N4O2Si/c1-5-6-37-59(3,4)38-19-36-58-46-34-30-44(31-35-46)52(54-47(39-20-11-7-12-21-39)48(55-52)40-22-13-8-14-23-40)56-50(42-26-17-10-18-27-42)49(41-24-15-9-16-25-41)53-51(56)43-28-32-45(57-2)33-29-43/h7-18,20-35H,5-6,19,36-38H2,1-4H3.
What are the key properties of butyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane?
butyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane has a molecular weight of 793.10 g/mol, XLogP of 12.82, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[3-[4-[2-[2-(4-methoxyphenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenoxy]propyl]-dimethylsilane is sourced from PubChem (CID 163933615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).