3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene

C28H22S6 — CID 12029578

IUPAC3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
SMILESCc1cc(-c2cccs2)sc1-c1sc(-c2cc(C)c(-c3sc(-c4cccs4)cc3C)s2)cc1C
InChIInChI=1S/C28H22S6/c1-15-11-21(19-7-5-9-29-19)31-25(15)27-17(3)13-23(33-27)24-14-18(4)28(34-24)26-16(2)12-22(32-26)20-8-6-10-30-20/h5-14H,1-4H3
InChIKeyFCCDSLODPPUJLF-UHFFFAOYSA-N
MW550.89 g/mol
LogP11.62
Rot. Bonds5

About 3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene

3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene (PubChem CID 12029578) has the molecular formula C28H22S6 and a molecular weight of 550.89 g/mol. Its IUPAC name is 3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
PubChem CID12029578
Molecular FormulaC28H22S6
Molecular Weight550.89 g/mol
Exact Mass550.00
IUPAC Name3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
SMILESCc1cc(-c2cccs2)sc1-c1sc(-c2cc(C)c(-c3sc(-c4cccs4)cc3C)s2)cc1C
InChIInChI=1S/C28H22S6/c1-15-11-21(19-7-5-9-29-19)31-25(15)27-17(3)13-23(33-27)24-14-18(4)28(34-24)26-16(2)12-22(32-26)20-8-6-10-30-20/h5-14H,1-4H3
InChIKeyFCCDSLODPPUJLF-UHFFFAOYSA-N
XLogP11.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.89
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene?
The IUPAC name of 3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene (CID 12029578) is 3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene.
What is the SMILES notation for 3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene?
The canonical SMILES for 3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene is Cc1cc(-c2cccs2)sc1-c1sc(-c2cc(C)c(-c3sc(-c4cccs4)cc3C)s2)cc1C.
What is the InChIKey of 3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene?
The InChIKey is FCCDSLODPPUJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22S6/c1-15-11-21(19-7-5-9-29-19)31-25(15)27-17(3)13-23(33-27)24-14-18(4)28(34-24)26-16(2)12-22(32-26)20-8-6-10-30-20/h5-14H,1-4H3.
What are the key properties of 3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene?
3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene has a molecular weight of 550.89 g/mol, XLogP of 11.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-methyl-5-[4-methyl-5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene is sourced from PubChem (CID 12029578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).