2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene

C21H13BrS5 — CID 11081700

IUPAC2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene
SMILESBrc1ccc(C(c2ccc(-c3cccs3)s2)c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C21H13BrS5/c22-20-10-9-19(27-20)21(17-7-5-15(25-17)13-3-1-11-23-13)18-8-6-16(26-18)14-4-2-12-24-14/h1-12,21H
InChIKeyOPKGJMXNAIOXST-UHFFFAOYSA-N
MW505.57 g/mol
LogP9.27
Rot. Bonds5

About 2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene

2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene (PubChem CID 11081700) has the molecular formula C21H13BrS5 and a molecular weight of 505.57 g/mol. Its IUPAC name is 2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene.

Molecular Properties

Compound Name2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene
PubChem CID11081700
Molecular FormulaC21H13BrS5
Molecular Weight505.57 g/mol
Exact Mass503.88
IUPAC Name2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene
SMILESBrc1ccc(C(c2ccc(-c3cccs3)s2)c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C21H13BrS5/c22-20-10-9-19(27-20)21(17-7-5-15(25-17)13-3-1-11-23-13)18-8-6-16(26-18)14-4-2-12-24-14/h1-12,21H
InChIKeyOPKGJMXNAIOXST-UHFFFAOYSA-N
XLogP9.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.57
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-methyl-1-(5-thiophen-2-ylthiophen-2-yl)ethanamine
CID 96704192
1-(5-thiophen-2-ylthiophen-2-yl)ethanol
CID 14954981
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2-(5-bromothiophen-2-yl)-5-thiophen-2-ylfuran
CID 10781309
1-(5-thiophen-2-ylthiophen-2-yl)propan-1-ol
CID 18920444
2,2,2-trichloro-1-(5-thiophen-2-ylthiophen-2-yl)ethanol
CID 134097787
2-(1-fluoroprop-2-enyl)-5-thiophen-2-ylthiophene
CID 91241555
magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide
CID 159825502
2-bromothiophene;2,5-dibromothiophene
CID 158267440
3-amino-3-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]propanamide
CID 170875791
tris(5-thiophen-2-ylthiophen-2-yl)phosphane
CID 101444105
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
CID 100972748

Frequently Asked Questions

What is the IUPAC name of 2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene?
The IUPAC name of 2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene (CID 11081700) is 2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene.
What is the SMILES notation for 2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene?
The canonical SMILES for 2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene is Brc1ccc(C(c2ccc(-c3cccs3)s2)c2ccc(-c3cccs3)s2)s1.
What is the InChIKey of 2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene?
The InChIKey is OPKGJMXNAIOXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrS5/c22-20-10-9-19(27-20)21(17-7-5-15(25-17)13-3-1-11-23-13)18-8-6-16(26-18)14-4-2-12-24-14/h1-12,21H.
What are the key properties of 2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene?
2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene has a molecular weight of 505.57 g/mol, XLogP of 9.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene is sourced from PubChem (CID 11081700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).