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3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-decyltetradecyl) pyrrolo[3,4-c]pyrrole-1,4-dione - >98%, high purity , CAS No.1224430-28-7
Discover 3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-decyltetradecyl) pyrrolo[3,4-c]pyrrole-1,4-dione by Aladdin Scientific in >98% for only $1,096.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Specifications & Purity
≥98%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
2,5-disubstituted thiophenes
Intermediate Tree Nodes
Not available
Direct Parent
2,5-disubstituted thiophenes
Alternative Parents
Aryl bromides Vinylogous amides Tertiary carboxylic acid amides Pyrrolines Heteroaromatic compounds Tertiary amines Lactams Amino acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Pyrroline - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Carboxylic acid derivative - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
1,4-bis(5-bromothiophen-2-yl)-2,5-bis(2-decyltetradecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
INCHI
InChI=1S/C62H102Br2N2O2S2/c1-5-9-13-17-21-25-27-31-35-39-43-51(41-37-33-29-23-19-15-11-7-3)49-65-59(53-45-47-55(63)69-53)57-58(61(65)67)60(54-46-48-56(64)70-54)66(62(57)68)50-52(42-38-34-30-24-20-16-12-8-4)44-40-36-32-28-26-22-18-14-10-6-2/h45-48,51-52H,5-44,49-50H2,1-4H3
InChIKey
FYIOMGMQCNUOFL-UHFFFAOYSA-N
Smiles
CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCCCCCC)CCCCCCCCCCCC)C3=CC=C(S3)Br)C1=O)C4=CC=C(S4)Br
Isomeric SMILES
CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCCCCCC)CCCCCCCCCCCC)C3=CC=C(S3)Br)C1=O)C4=CC=C(S4)Br
Reaxy-Rn
22138999
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22138999&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
1131.400 g/mol
XLogP3
27.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
46
Exact Mass
1130.57 Da
Monoisotopic Mass
1128.57 Da
Topological Polar Surface Area
97.100 Ų
Heavy Atom Count
70
Formal Charge
0
Complexity
1350.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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