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147951-36-8 | [1,1':3',1''-Terphenyl]-4,4''-diamine, 5'-[4-(diphenylamino)phenyl]-N4,N4,N4'',N4''-tetraphenyl-
CAS No: 147951-36-8 Catalog No: AG001FBB MDL No:
Product Description
Catalog Number:
AG001FBB
Chemical Name:
[1,1':3',1''-Terphenyl]-4,4''-diamine, 5'-[4-(diphenylamino)phenyl]-N4,N4,N4'',N4''-tetraphenyl-
CAS Number:
147951-36-8
Molecular Formula:
C60H45N3
Molecular Weight:
808.0194
IUPAC Name:
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
InChI:
InChI=1S/C60H45N3/c1-7-19-52(20-8-1)61(53-21-9-2-10-22-53)58-37-31-46(32-38-58)49-43-50(47-33-39-59(40-34-47)62(54-23-11-3-12-24-54)55-25-13-4-14-26-55)45-51(44-49)48-35-41-60(42-36-48)63(56-27-15-5-16-28-56)57-29-17-6-18-30-57/h1-45H
InChI Key:
XVMUGTFNHXHZIP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
807.361g/mol
Formal Charge:
0
Heavy Atom Count:
63
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
808.041g/mol
Monoisotopic Mass:
807.361g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
9.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.5
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