5-[4-[4,5-bis[5-[4,5-bis(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]-2,3-bis[5-[4,5-bis(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene

License

No License Provided

Export

DCAT-AP(rdf/xml) DCAT-AP(ttl) DCAT-AP(jsonld)

DCAT-AP-PLUS(xml) DCAT-AP-PLUS(ttl) DCAT-AP-PLUS(jsonld)

ChemDCAT-AP(xml) ChemDCAT-AP(jsonld) ChemDCAT-AP(ttl)

Schema.Org(rdf/xml) Schema.Org(xml) Schema.Org(ttl) Schema.Org(jsonld)

Molecule

5-[4-[4,5-bis[5-[4,5-bis(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]-2,3-bis[5-[4,5-bis(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene

Chemical Information

Molecular Image

InChI	InChI=1S/C84H56S19/c1-41-9-17-57(86-41)51-35-75(100-79(51)67-21-13-45(5)90-67)63-27-25-61(94-63)49-33-73(98-83(49)71-31-29-65(96-71)77-37-53(59-19-11-43(3)88-59)81(102-77)69-23-15-47(7)92-69)55-39-85-40-56(55)74-34-50(62-26-28-64(95-62)76-36-52(58-18-10-42(2)87-58)80(101-76)68-22-14-46(6)91-68)84(99-74)72-32-30-66(97-72)78-38-54(60-20-12-44(4)89-60)82(103-78)70-24-16-48(8)93-70/h9-40H,1-8H3
SMILES	Cc1ccc(s1)c1sc(cc1c1ccc(s1)C)c1ccc(s1)c1cc(sc1c1ccc(s1)c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C)c1cscc1c1cc(c(s1)c1ccc(s1)c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C)c1ccc(s1)c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C
InChI Key	MJKFDOZDEVVXHA-UHFFFAOYSA-N
Exact Mass	1674.578 g/mol

7 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

1H--1H correlation spectroscopy (1H-1H COSY)

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol3663
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
176528072	pubchem
The data in this table is sourced from UniChem at EBI.