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823214-29-5 | [1,1'-Binaphthalene]-4,4'(1H,1'H)-dithione, 3,3'-diphenyl-
CAS No: 823214-29-5 Catalog No: AG0054J4 MDL No:
Product Description
Catalog Number:
AG0054J4
Chemical Name:
[1,1'-Binaphthalene]-4,4'(1H,1'H)-dithione, 3,3'-diphenyl-
CAS Number:
823214-29-5
Molecular Formula:
C32H22S2
Molecular Weight:
470.6471
IUPAC Name:
2-phenyl-4-(3-phenyl-4-sulfanylidene-1H-naphthalen-1-yl)-4H-naphthalene-1-thione
InChI:
InChI=1S/C32H22S2/c33-31-25-17-9-7-15-23(25)29(19-27(31)21-11-3-1-4-12-21)30-20-28(22-13-5-2-6-14-22)32(34)26-18-10-8-16-24(26)30/h1-20,29-30H
InChI Key:
DZDJHQOUYZNYPS-UHFFFAOYSA-N
SMILES:
S=C1C(=CC(c2c1cccc2)C1C=C(c2ccccc2)C(=S)c2c1cccc2)c1ccccc1
Properties
Complexity:
767
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.116g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.648g/mol
Monoisotopic Mass:
470.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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