2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene

C44H50O8S4 — CID 123458181

IUPAC2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene
SMILESCOc1cccc(OC(C)C)c1-c1sc(-c2sc(-c3sc(-c4sc(-c5c(OC)cccc5OC(C)C)c(OC)c4OC)c(C)c3C)c(C)c2C)c(OC)c1OC
InChIInChI=1S/C44H50O8S4/c1-21(2)51-29-19-15-17-27(45-9)31(29)41-33(47-11)35(49-13)43(55-41)39-25(7)23(5)37(53-39)38-24(6)26(8)40(54-38)44-36(50-14)34(48-12)42(56-44)32-28(46-10)18-16-20-30(32)52-22(3)4/h15-22H,1-14H3
InChIKeyIQNOXXWTROXGON-UHFFFAOYSA-N
MW835.14 g/mol
LogP13.13
Rot. Bonds15

About 2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene

2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene (PubChem CID 123458181) has the molecular formula C44H50O8S4 and a molecular weight of 835.14 g/mol. Its IUPAC name is 2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene.

Molecular Properties

Compound Name2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene
PubChem CID123458181
Molecular FormulaC44H50O8S4
Molecular Weight835.14 g/mol
Exact Mass834.24
IUPAC Name2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene
SMILESCOc1cccc(OC(C)C)c1-c1sc(-c2sc(-c3sc(-c4sc(-c5c(OC)cccc5OC(C)C)c(OC)c4OC)c(C)c3C)c(C)c2C)c(OC)c1OC
InChIInChI=1S/C44H50O8S4/c1-21(2)51-29-19-15-17-27(45-9)31(29)41-33(47-11)35(49-13)43(55-41)39-25(7)23(5)37(53-39)38-24(6)26(8)40(54-38)44-36(50-14)34(48-12)42(56-44)32-28(46-10)18-16-20-30(32)52-22(3)4/h15-22H,1-14H3
InChIKeyIQNOXXWTROXGON-UHFFFAOYSA-N
XLogP13.13
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500835.14
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene?
The IUPAC name of 2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene (CID 123458181) is 2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene.
What is the SMILES notation for 2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene?
The canonical SMILES for 2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene is COc1cccc(OC(C)C)c1-c1sc(-c2sc(-c3sc(-c4sc(-c5c(OC)cccc5OC(C)C)c(OC)c4OC)c(C)c3C)c(C)c2C)c(OC)c1OC.
What is the InChIKey of 2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene?
The InChIKey is IQNOXXWTROXGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50O8S4/c1-21(2)51-29-19-15-17-27(45-9)31(29)41-33(47-11)35(49-13)43(55-41)39-25(7)23(5)37(53-39)38-24(6)26(8)40(54-38)44-36(50-14)34(48-12)42(56-44)32-28(46-10)18-16-20-30(32)52-22(3)4/h15-22H,1-14H3.
What are the key properties of 2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene?
2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene has a molecular weight of 835.14 g/mol, XLogP of 13.13, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-[5-[3,4-dimethoxy-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene is sourced from PubChem (CID 123458181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).