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Emeraldine

Catalog Number
ACM5612442
CAS Number
5612-44-2
Product Name
Emeraldine
Category
Engineering Plastics
Synonyms
emeraldine
IUPAC Name
4-N-[4-[4-[4-[[4-[4-[(4-phenyliminocyclohexa-2,5-dien-1-ylidene)amino]phenyl]iminocyclohexa-2,5-dien-1-ylidene]amino]anilino]anilino]phenyl]benzene-1,4-diamine
Molecular Weight
726.9g/mol
Molecular Formula
C48H38N8
Canonical SMILES
C1=CC=C(C=C1)N=C2C=CC(=NC3=CC=C(C=C3)N=C4C=CC(=NC5=CC=C(C=C5)NC6=CC=C(C=C6)NC7=CC=C(C=C7)NC8=CC=C(C=C8)N)C=C4)C=C2
InChI
InChI=1S/C48H38N8/c49-34-6-8-36(9-7-34)51-38-14-16-40(17-15-38)53-42-22-24-44(25-23-42)55-46-30-32-48(33-31-46)56-47-28-26-45(27-29-47)54-43-20-18-41(19-21-43)52-39-12-10-37(11-13-39)50-35-4-2-1-3-5-35/h1-33,51,53,55H,49H2
InChI Key
UBOHYACRFJAUIB-UHFFFAOYSA-N
Purity
98%
Appearance
Black powder
Complexity
1450
Covalently-Bonded Unit Count
1
Exact Mass
726.321943g/mol
Formal Charge
0
Heavy Atom Count
56
Monoisotopic Mass
726.321943g/mol
Rotatable Bond Count
10
XLogP3
9.4
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