5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene

C16H6Br4S4 — CID 175743139

IUPAC5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene
SMILESBrc1ccc(-c2cc(Br)sc2-c2sc(Br)cc2-c2ccc(Br)s2)s1
InChIInChI=1S/C16H6Br4S4/c17-11-3-1-9(21-11)7-5-13(19)23-15(7)16-8(6-14(20)24-16)10-2-4-12(18)22-10/h1-6H
InChIKeyTZAJOYZMWFEBQI-UHFFFAOYSA-N
MW646.11 g/mol
LogP9.98
Rot. Bonds3

About 5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene

5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene (PubChem CID 175743139) has the molecular formula C16H6Br4S4 and a molecular weight of 646.11 g/mol. Its IUPAC name is 5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene.

Molecular Properties

Compound Name5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene
PubChem CID175743139
Molecular FormulaC16H6Br4S4
Molecular Weight646.11 g/mol
Exact Mass641.61
IUPAC Name5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene
SMILESBrc1ccc(-c2cc(Br)sc2-c2sc(Br)cc2-c2ccc(Br)s2)s1
InChIInChI=1S/C16H6Br4S4/c17-11-3-1-9(21-11)7-5-13(19)23-15(7)16-8(6-14(20)24-16)10-2-4-12(18)22-10/h1-6H
InChIKeyTZAJOYZMWFEBQI-UHFFFAOYSA-N
XLogP9.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.11
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene?
The IUPAC name of 5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene (CID 175743139) is 5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene.
What is the SMILES notation for 5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene?
The canonical SMILES for 5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene is Brc1ccc(-c2cc(Br)sc2-c2sc(Br)cc2-c2ccc(Br)s2)s1.
What is the InChIKey of 5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene?
The InChIKey is TZAJOYZMWFEBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6Br4S4/c17-11-3-1-9(21-11)7-5-13(19)23-15(7)16-8(6-14(20)24-16)10-2-4-12(18)22-10/h1-6H.
What are the key properties of 5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene?
5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene has a molecular weight of 646.11 g/mol, XLogP of 9.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[5-bromo-3-(5-bromothiophen-2-yl)thiophen-2-yl]-3-(5-bromothiophen-2-yl)thiophene is sourced from PubChem (CID 175743139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).