Molecule:100942

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Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	n/a
Trivialname	n/a
Exact mass	842.275324716
Molecular formula	C46H38FeN14
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

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InChI	1S/2C23H19N7.Fe/c2*1-3-8-18(9-4-1)22-16-29(27-25-22)14-20-12-7-13-21(24-20)15-30-17-23(26-28-30)19-10-5-2-6-11-19;/h2*1-13,16-17H,14-15H2;
InChI-Key	SIMPDUKIPFZEDX-UHFFFAOYSA-N
SMILES	[Fe]12(~N3N(C=C(C4C=CC=CC=4)N=3)CC3C=CC=C(CN4C=C(C5C=CC=CC=5)N=N4~1)N=3~2)12~N3=NC(C4C=CC=CC=4)=CN3CC3N~1=C(CN1N~2=NC(C2C=CC=CC=2)=C1)C=CC=3

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