2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

C26H18S6 — CID 11752772

IUPAC2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCc1csc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6cc(C)cs6)s5)s4)s3)s2)c1
InChIInChI=1S/C26H18S6/c1-15-11-25(27-13-15)23-9-7-21(31-23)19-5-3-17(29-19)18-4-6-20(30-18)22-8-10-24(32-22)26-12-16(2)14-28-26/h3-14H,1-2H3
InChIKeyCIMLJNHHIPYRFR-UHFFFAOYSA-N
MW522.83 g/mol
LogP11.01
Rot. Bonds5

About 2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 11752772) has the molecular formula C26H18S6 and a molecular weight of 522.83 g/mol. Its IUPAC name is 2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID11752772
Molecular FormulaC26H18S6
Molecular Weight522.83 g/mol
Exact Mass521.97
IUPAC Name2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCc1csc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6cc(C)cs6)s5)s4)s3)s2)c1
InChIInChI=1S/C26H18S6/c1-15-11-25(27-13-15)23-9-7-21(31-23)19-5-3-17(29-19)18-4-6-20(30-18)22-8-10-24(32-22)26-12-16(2)14-28-26/h3-14H,1-2H3
InChIKeyCIMLJNHHIPYRFR-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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Related Compounds

2,5-bis(4-methylthiophen-2-yl)thiophene
CID 11097816
2,5-bis(4-bromothiophen-2-yl)thiophene
CID 11143949
6-methyl-2-[5-(4-methylthiophen-2-yl)thiophen-2-yl]-1,3,6,2-dioxazaborocane-4,8-dione
CID 70892488
2-(4-chlorothiophen-2-yl)-5-methylthiophene
CID 58778168
2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 102344433
2-(3-chlorophenyl)-4-methylthiophene
CID 173145539
4-methyl-2-(7-methylnaphthalen-2-yl)thiophene
CID 70851584
2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 130778751
(4-methylthiophen-2-yl)iodanium
CID 170762974
2,4-dimethylthiophene;vanadium
CID 143324996
[2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate
CID 139785113
2-(4-fluoro-2-methylnaphthalen-1-yl)-4-methylthiophene
CID 91472224

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (CID 11752772) is 2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is Cc1csc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6cc(C)cs6)s5)s4)s3)s2)c1.
What is the InChIKey of 2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is CIMLJNHHIPYRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18S6/c1-15-11-25(27-13-15)23-9-7-21(31-23)19-5-3-17(29-19)18-4-6-20(30-18)22-8-10-24(32-22)26-12-16(2)14-28-26/h3-14H,1-2H3.
What are the key properties of 2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-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 2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 11752772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).