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

C26H18S6 — CID 12029577

IUPAC3-methyl-2-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
SMILESCc1cc(-c2ccc(-c3cccs3)s2)sc1-c1sc(-c2ccc(-c3cccs3)s2)cc1C
InChIInChI=1S/C26H18S6/c1-15-13-23(21-9-7-19(29-21)17-5-3-11-27-17)31-25(15)26-16(2)14-24(32-26)22-10-8-20(30-22)18-6-4-12-28-18/h3-14H,1-2H3
InChIKeyQVKBSZLEOMGMIO-UHFFFAOYSA-N
MW522.83 g/mol
LogP11.01
Rot. Bonds5

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

3-methyl-2-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene (PubChem CID 12029577) has the molecular formula C26H18S6 and a molecular weight of 522.83 g/mol. Its IUPAC name is 3-methyl-2-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-methyl-2-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
PubChem CID12029577
Molecular FormulaC26H18S6
Molecular Weight522.83 g/mol
Exact Mass521.97
IUPAC Name3-methyl-2-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
SMILESCc1cc(-c2ccc(-c3cccs3)s2)sc1-c1sc(-c2ccc(-c3cccs3)s2)cc1C
InChIInChI=1S/C26H18S6/c1-15-13-23(21-9-7-19(29-21)17-5-3-11-27-17)31-25(15)26-16(2)14-24(32-26)22-10-8-20(30-22)18-6-4-12-28-18/h3-14H,1-2H3
InChIKeyQVKBSZLEOMGMIO-UHFFFAOYSA-N
XLogP11.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.83
LogP ≤ 511.01
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-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
The IUPAC name of 3-methyl-2-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene (CID 12029577) is 3-methyl-2-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene.
What is the SMILES notation for 3-methyl-2-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
The canonical SMILES for 3-methyl-2-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene is Cc1cc(-c2ccc(-c3cccs3)s2)sc1-c1sc(-c2ccc(-c3cccs3)s2)cc1C.
What is the InChIKey of 3-methyl-2-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
The InChIKey is QVKBSZLEOMGMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18S6/c1-15-13-23(21-9-7-19(29-21)17-5-3-11-27-17)31-25(15)26-16(2)14-24(32-26)22-10-8-20(30-22)18-6-4-12-28-18/h3-14H,1-2H3.
What are the key properties of 3-methyl-2-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
3-methyl-2-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene has a molecular weight of 522.83 g/mol, XLogP of 11.01, 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-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophene is sourced from PubChem (CID 12029577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).