[4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane

C51H63N3O6Si3 — CID 53360376

IUPAC[4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(-c3cc(-c4cc(-c5ccc(O[Si](C)(C)C(C)(C)C)cc5)no4)cc(-c4cc(-c5ccc(O[Si](C)(C)C(C)(C)C)cc5)no4)c3)on2)cc1
InChIInChI=1S/C51H63N3O6Si3/c1-49(2,3)61(10,11)58-40-22-16-34(17-23-40)43-31-46(55-52-43)37-28-38(47-32-44(53-56-47)35-18-24-41(25-19-35)59-62(12,13)50(4,5)6)30-39(29-37)48-33-45(54-57-48)36-20-26-42(27-21-36)60-63(14,15)51(7,8)9/h16-33H,1-15H3
InChIKeyDGSNPBRQTHJNPW-UHFFFAOYSA-N
MW898.34 g/mol
LogP15.80
Rot. Bonds12

About [4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane

[4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane (PubChem CID 53360376) has the molecular formula C51H63N3O6Si3 and a molecular weight of 898.34 g/mol. Its IUPAC name is [4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane
PubChem CID53360376
Molecular FormulaC51H63N3O6Si3
Molecular Weight898.34 g/mol
Exact Mass897.40
IUPAC Name[4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(-c3cc(-c4cc(-c5ccc(O[Si](C)(C)C(C)(C)C)cc5)no4)cc(-c4cc(-c5ccc(O[Si](C)(C)C(C)(C)C)cc5)no4)c3)on2)cc1
InChIInChI=1S/C51H63N3O6Si3/c1-49(2,3)61(10,11)58-40-22-16-34(17-23-40)43-31-46(55-52-43)37-28-38(47-32-44(53-56-47)35-18-24-41(25-19-35)59-62(12,13)50(4,5)6)30-39(29-37)48-33-45(54-57-48)36-20-26-42(27-21-36)60-63(14,15)51(7,8)9/h16-33H,1-15H3
InChIKeyDGSNPBRQTHJNPW-UHFFFAOYSA-N
XLogP15.80
TPSA105.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.34
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 [4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane (CID 53360376) is [4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(-c3cc(-c4cc(-c5ccc(O[Si](C)(C)C(C)(C)C)cc5)no4)cc(-c4cc(-c5ccc(O[Si](C)(C)C(C)(C)C)cc5)no4)c3)on2)cc1.
What is the InChIKey of [4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane?
The InChIKey is DGSNPBRQTHJNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H63N3O6Si3/c1-49(2,3)61(10,11)58-40-22-16-34(17-23-40)43-31-46(55-52-43)37-28-38(47-32-44(53-56-47)35-18-24-41(25-19-35)59-62(12,13)50(4,5)6)30-39(29-37)48-33-45(54-57-48)36-20-26-42(27-21-36)60-63(14,15)51(7,8)9/h16-33H,1-15H3.
What are the key properties of [4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane?
[4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane has a molecular weight of 898.34 g/mol, XLogP of 15.80, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 53360376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).