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125229-54-1 | 2-Triphenylenecarboxylic acid, 3-amino-1,4-diphenyl-
CAS No: 125229-54-1 Catalog No: AG000NDA MDL No:
Product Description
Catalog Number:
AG000NDA
Chemical Name:
2-Triphenylenecarboxylic acid, 3-amino-1,4-diphenyl-
CAS Number:
125229-54-1
Molecular Formula:
C31H21NO2
Molecular Weight:
439.5039
IUPAC Name:
3-amino-1,4-diphenyltriphenylene-2-carboxylic acid
InChI:
InChI=1S/C31H21NO2/c32-30-26(20-13-5-2-6-14-20)28-24-18-10-8-16-22(24)21-15-7-9-17-23(21)27(28)25(29(30)31(33)34)19-11-3-1-4-12-19/h1-18H,32H2,(H,33,34)
InChI Key:
FGNMWPXHCVITJS-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)c(c2ccccc2)c2c(c1c1ccccc1)c1ccccc1c1c2cccc1
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.157g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
439.514g/mol
Monoisotopic Mass:
439.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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