Molecule

nfdi4chem-mol9556 (Unknown Molecule)

Chemical Information

Molecular Image

InChI	InChI=1S/C74H44N4O2/c79-73-60-41-45(75-64-31-13-7-25-54(64)48-19-1-2-20-49(48)55-26-8-14-32-65(55)75)37-39-70(60)78-71-40-38-46(76-66-33-15-9-27-56(66)50-21-3-4-22-51(50)57-28-10-16-34-67(57)76)42-61(71)74(80)63-44-47(43-62(73)72(63)78)77-68-35-17-11-29-58(68)52-23-5-6-24-53(52)59-30-12-18-36-69(59)77/h1-44H
SMILES	O=c1c2cc(ccc2n2c3c1cc(cc3c(=O)c1c2ccc(c1)N1c2ccccc2-c2c(-c3c1cccc3)cccc2)N1c2ccccc2-c2c(-c3c1cccc3)cccc2)N1c2ccccc2-c2c(-c3c1cccc3)cccc2
InChI Key	CANKPKUOEXKNBY-UHFFFAOYSA-N
Exact Mass	1021.167 g/mol

8 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)

infrared absorption spectroscopy (IR)

mass spectrometry (MS)

ultraviolet-visible spectrophotometry (UV-VIS)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol9556
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
177864198	pubchem
The data in this table is sourced from UniChem at EBI.