2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene

C48H64O6S3 — CID 170081991

IUPAC2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene
SMILESCOCCOCCOc1ccc(-c2sc(-c3sc(-c4sc(C(C)(C)C)c(C)c4C)c(C)c3C)c(C)c2C)cc1-c1cc(C(C)(C)C)ccc1OCCOCCOC
InChIInChI=1S/C48H64O6S3/c1-29-30(2)42(43-31(3)32(4)44(56-43)45-33(5)34(6)46(57-45)48(10,11)12)55-41(29)35-15-17-39(53-25-23-51-21-19-49-13)37(27-35)38-28-36(47(7,8)9)16-18-40(38)54-26-24-52-22-20-50-14/h15-18,27-28H,19-26H2,1-14H3
InChIKeyAPRDUQUQWADFFF-UHFFFAOYSA-N
MW833.23 g/mol
LogP13.07
Rot. Bonds18

About 2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene

2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene (PubChem CID 170081991) has the molecular formula C48H64O6S3 and a molecular weight of 833.23 g/mol. Its IUPAC name is 2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene.

Molecular Properties

Compound Name2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene
PubChem CID170081991
Molecular FormulaC48H64O6S3
Molecular Weight833.23 g/mol
Exact Mass832.39
IUPAC Name2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene
SMILESCOCCOCCOc1ccc(-c2sc(-c3sc(-c4sc(C(C)(C)C)c(C)c4C)c(C)c3C)c(C)c2C)cc1-c1cc(C(C)(C)C)ccc1OCCOCCOC
InChIInChI=1S/C48H64O6S3/c1-29-30(2)42(43-31(3)32(4)44(56-43)45-33(5)34(6)46(57-45)48(10,11)12)55-41(29)35-15-17-39(53-25-23-51-21-19-49-13)37(27-35)38-28-36(47(7,8)9)16-18-40(38)54-26-24-52-22-20-50-14/h15-18,27-28H,19-26H2,1-14H3
InChIKeyAPRDUQUQWADFFF-UHFFFAOYSA-N
XLogP13.07
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.23
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene
CID 169014038
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
CID 146179403
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181239
2-[3-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-7-methylphenanthrene-9,10-dione
CID 175478715
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2297274
4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene
CID 63664014
N-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine;oxalic acid
CID 2922716
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
3-[5-[3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-9-[2-(2-methoxyethoxy)ethyl]-6-methylcarbazole
CID 169016934
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
2,4-ditert-butyl-1-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 129256611
9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2,7-ditert-butylfluorene
CID 155051621

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene?
The IUPAC name of 2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene (CID 170081991) is 2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene.
What is the SMILES notation for 2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene?
The canonical SMILES for 2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene is COCCOCCOc1ccc(-c2sc(-c3sc(-c4sc(C(C)(C)C)c(C)c4C)c(C)c3C)c(C)c2C)cc1-c1cc(C(C)(C)C)ccc1OCCOCCOC.
What is the InChIKey of 2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene?
The InChIKey is APRDUQUQWADFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H64O6S3/c1-29-30(2)42(43-31(3)32(4)44(56-43)45-33(5)34(6)46(57-45)48(10,11)12)55-41(29)35-15-17-39(53-25-23-51-21-19-49-13)37(27-35)38-28-36(47(7,8)9)16-18-40(38)54-26-24-52-22-20-50-14/h15-18,27-28H,19-26H2,1-14H3.
What are the key properties of 2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene?
2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene has a molecular weight of 833.23 g/mol, XLogP of 13.07, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[5-[5-[3-[5-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene is sourced from PubChem (CID 170081991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).