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23681-60-9 | Benzenemethanol, 4-(phenylamino)-α,α-bis[4-(phenylamino)phenyl]-
CAS No: 23681-60-9 Catalog No: AG002O5F MDL No:
Product Description
Catalog Number:
AG002O5F
Chemical Name:
Benzenemethanol, 4-(phenylamino)-α,α-bis[4-(phenylamino)phenyl]-
CAS Number:
23681-60-9
Molecular Formula:
C37H31N3O
Molecular Weight:
533.6615
IUPAC Name:
tris(4-anilinophenyl)methanol
InChI:
InChI=1S/C37H31N3O/c41-37(28-16-22-34(23-17-28)38-31-10-4-1-5-11-31,29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33/h1-27,38-41H
InChI Key:
QIVYWOAVUUJDEC-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)Nc1ccccc1)(c1ccc(cc1)Nc1ccccc1)c1ccc(cc1)Nc1ccccc1
EC Number:
245-822-2
UNII:
UTA173IKNX
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
533.247g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
533.675g/mol
Monoisotopic Mass:
533.247g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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