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N,N,N',N'-Tetra(4-formylphenyl)benzidin

Catalog Number
ACM865448722-2
CAS Number
865448-72-2
Product Name
N,N,N',N'-Tetra(4-formylphenyl)benzidin
Structure
Category
Aldehyde COF Linkers-4d-Aldehyder COF Linkers
Synonyms
4,4',4'',4'''-([1,1'-biphenyl]-4,4'-diylbis(azanetriyl))tetrabenzaldehyde; 4-(4-Formyl-N-[4-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
IUPAC Name
4-(4-formyl-N-[4-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
Molecular Weight
600.66
Molecular Formula
C40H28N2O4
Canonical SMILES
C1=CC(=CC=C1C=O)N(C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=C(C=C5)C=O)C6=CC=C(C=C6)C=O
InChI
InChI=1S/C40H28N2O4/c43-25-29-1-13-35(14-2-29)41(36-15-3-30(26-44)4-16-36)39-21-9-33(10-22-39)34-11-23-40(24-12-34)42(37-17-5-31(27-45)6-18-37)38-19-7-32(28-46)8-20-38/h1-28H
InChI Key
HPVDCPGIWARHER-UHFFFAOYSA-N
Melting Point
181-182 °C
Purity
96%
Appearance
Yellow crystalline powder
Complexity
822
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
600.20490738g/mol
Formal Charge
0
Heavy Atom Count
46
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
600.20490738g/mol
Rotatable Bond Count
11
Topological Polar Surface Area
74.8Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
7.9
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