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865448-72-2 | Benzaldehyde, 4,4',4'',4'''-([1,1'-biphenyl]-4,4'-diyldinitrilo)tetrakis-
CAS No: 865448-72-2 Catalog No: AG004PQL MDL No:
Product Description
Catalog Number:
AG004PQL
Chemical Name:
Benzaldehyde, 4,4',4'',4'''-([1,1'-biphenyl]-4,4'-diyldinitrilo)tetrakis-
CAS Number:
865448-72-2
Molecular Formula:
C40H28N2O4
Molecular Weight:
600.6613
IUPAC Name:
4-(4-formyl-N-[4-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
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
SMILES:
O=Cc1ccc(cc1)N(c1ccc(cc1)C=O)c1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)C=O)c1ccc(cc1)C=O
Properties
Complexity:
822
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
600.205g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
600.674g/mol
Monoisotopic Mass:
600.205g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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