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Home > Aldehydes > 883236-47-3
883236-47-3 | 2-Thiophenecarboxaldehyde, 5,5',5''-(nitrilotri-4,1-phenylene)tris-
CAS No: 883236-47-3 Catalog No: AG0089WP MDL No:
Product Description
Catalog Number:
AG0089WP
Chemical Name:
2-Thiophenecarboxaldehyde, 5,5',5''-(nitrilotri-4,1-phenylene)tris-
CAS Number:
883236-47-3
Molecular Formula:
C33H21NO3S3
Molecular Weight:
575.7197
IUPAC Name:
5-[4-[4-(5-formylthiophen-2-yl)-N-[4-(5-formylthiophen-2-yl)phenyl]anilino]phenyl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C33H21NO3S3/c35-19-28-13-16-31(38-28)22-1-7-25(8-2-22)34(26-9-3-23(4-10-26)32-17-14-29(20-36)39-32)27-11-5-24(6-12-27)33-18-15-30(21-37)40-33/h1-21H
InChI Key:
SBRXFORWSATJLQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1ccc(cc1)N(c1ccc(cc1)c1ccc(s1)C=O)c1ccc(cc1)c1ccc(s1)C=O
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
575.068g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
575.715g/mol
Monoisotopic Mass:
575.068g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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