5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

C38H34O4S6 — CID 15891051

IUPAC5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1cc(C)c(Sc2sc(-c3ccc(-c4ccc(-c5sc(Sc6c(C)cc(C)cc6C)c6c5OCCO6)s4)s3)c3c2OCCO3)c(C)c1
InChIInChI=1S/C38H34O4S6/c1-19-15-21(3)33(22(4)16-19)45-37-31-29(39-11-13-41-31)35(47-37)27-9-7-25(43-27)26-8-10-28(44-26)36-30-32(42-14-12-40-30)38(48-36)46-34-23(5)17-20(2)18-24(34)6/h7-10,15-18H,11-14H2,1-6H3
InChIKeyMHECIQMALLFVOQ-UHFFFAOYSA-N
MW747.09 g/mol
LogP12.63
Rot. Bonds7

About 5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 15891051) has the molecular formula C38H34O4S6 and a molecular weight of 747.09 g/mol. Its IUPAC name is 5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID15891051
Molecular FormulaC38H34O4S6
Molecular Weight747.09 g/mol
Exact Mass746.08
IUPAC Name5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1cc(C)c(Sc2sc(-c3ccc(-c4ccc(-c5sc(Sc6c(C)cc(C)cc6C)c6c5OCCO6)s4)s3)c3c2OCCO3)c(C)c1
InChIInChI=1S/C38H34O4S6/c1-19-15-21(3)33(22(4)16-19)45-37-31-29(39-11-13-41-31)35(47-37)27-9-7-25(43-27)26-8-10-28(44-26)36-30-32(42-14-12-40-30)38(48-36)46-34-23(5)17-20(2)18-24(34)6/h7-10,15-18H,11-14H2,1-6H3
InChIKeyMHECIQMALLFVOQ-UHFFFAOYSA-N
XLogP12.63
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.09
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 15891051) is 5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is Cc1cc(C)c(Sc2sc(-c3ccc(-c4ccc(-c5sc(Sc6c(C)cc(C)cc6C)c6c5OCCO6)s4)s3)c3c2OCCO3)c(C)c1.
What is the InChIKey of 5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is MHECIQMALLFVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34O4S6/c1-19-15-21(3)33(22(4)16-19)45-37-31-29(39-11-13-41-31)35(47-37)27-9-7-25(43-27)26-8-10-28(44-26)36-30-32(42-14-12-40-30)38(48-36)46-34-23(5)17-20(2)18-24(34)6/h7-10,15-18H,11-14H2,1-6H3.
What are the key properties of 5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 747.09 g/mol, XLogP of 12.63, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-trimethylphenyl)sulfanyl-7-[5-[5-[5-(2,4,6-trimethylphenyl)sulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]thiophen-2-yl]thiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 15891051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).