[2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane

C46H64O2S3Si2 — CID 139726944

IUPAC[2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane
SMILESCC(C)(C)c1cc(-c2ccc(-c3ccc(-c4ccc(-c5cc(C(C)(C)C)c(O[Si](C)(C)C)c(C(C)(C)C)c5)s4)s3)s2)cc(C(C)(C)C)c1O[Si](C)(C)C
InChIInChI=1S/C46H64O2S3Si2/c1-43(2,3)31-25-29(26-32(44(4,5)6)41(31)47-52(13,14)15)35-19-21-37(49-35)39-23-24-40(51-39)38-22-20-36(50-38)30-27-33(45(7,8)9)42(48-53(16,17)18)34(28-30)46(10,11)12/h19-28H,1-18H3
InChIKeyURBYYXLEGIFFRZ-UHFFFAOYSA-N
MW801.39 g/mol
LogP16.16
Rot. Bonds8

About [2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane

[2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane (PubChem CID 139726944) has the molecular formula C46H64O2S3Si2 and a molecular weight of 801.39 g/mol. Its IUPAC name is [2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane.

Molecular Properties

Compound Name[2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane
PubChem CID139726944
Molecular FormulaC46H64O2S3Si2
Molecular Weight801.39 g/mol
Exact Mass800.36
IUPAC Name[2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane
SMILESCC(C)(C)c1cc(-c2ccc(-c3ccc(-c4ccc(-c5cc(C(C)(C)C)c(O[Si](C)(C)C)c(C(C)(C)C)c5)s4)s3)s2)cc(C(C)(C)C)c1O[Si](C)(C)C
InChIInChI=1S/C46H64O2S3Si2/c1-43(2,3)31-25-29(26-32(44(4,5)6)41(31)47-52(13,14)15)35-19-21-37(49-35)39-23-24-40(51-39)38-22-20-36(50-38)30-27-33(45(7,8)9)42(48-53(16,17)18)34(28-30)46(10,11)12/h19-28H,1-18H3
InChIKeyURBYYXLEGIFFRZ-UHFFFAOYSA-N
XLogP16.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.39
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2,6-ditert-butyl-4-(2,4-dimethylphenyl)phenoxy]-trimethylsilane
CID 139910843
(2,6-ditert-butyl-4-ethenylphenoxy)-trimethylsilane
CID 102247971
[2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane
CID 4098651
chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane
CID 13254327
dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane
CID 101416642
[dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile
CID 134900930
3,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]dibenzothiophene
CID 59489217
trimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane
CID 123385458
[2,3-bis(5-phenylthiophen-2-yl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 102254650
2,5-bis[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]thiophene
CID 102235498
(3-tert-butyl-2-chlorophenoxy)-trimethylsilane
CID 167723087
7,15-bis[5-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-17,18-dimethoxy-3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaene
CID 101472414

Frequently Asked Questions

What is the IUPAC name of [2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane?
The IUPAC name of [2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane (CID 139726944) is [2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane.
What is the SMILES notation for [2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane?
The canonical SMILES for [2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane is CC(C)(C)c1cc(-c2ccc(-c3ccc(-c4ccc(-c5cc(C(C)(C)C)c(O[Si](C)(C)C)c(C(C)(C)C)c5)s4)s3)s2)cc(C(C)(C)C)c1O[Si](C)(C)C.
What is the InChIKey of [2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane?
The InChIKey is URBYYXLEGIFFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H64O2S3Si2/c1-43(2,3)31-25-29(26-32(44(4,5)6)41(31)47-52(13,14)15)35-19-21-37(49-35)39-23-24-40(51-39)38-22-20-36(50-38)30-27-33(45(7,8)9)42(48-53(16,17)18)34(28-30)46(10,11)12/h19-28H,1-18H3.
What are the key properties of [2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane?
[2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane has a molecular weight of 801.39 g/mol, XLogP of 16.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-ditert-butyl-4-[5-[5-[5-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenoxy]-trimethylsilane is sourced from PubChem (CID 139726944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).