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87031-49-0 | 9H-Thioxanthene, 9-[(2,6-diphenyl-4H-pyran-4-ylidene)ethenylidene]-
CAS No: 87031-49-0 Catalog No: AG004NJS MDL No:
Product Description
Catalog Number:
AG004NJS
Chemical Name:
9H-Thioxanthene, 9-[(2,6-diphenyl-4H-pyran-4-ylidene)ethenylidene]-
CAS Number:
87031-49-0
Molecular Formula:
C32H20OS
Molecular Weight:
452.5656
IUPAC Name:
2,6-diphenyl-4-(2-thioxanthen-9-ylideneethenylidene)pyran
InChI:
InChI=1S/C32H20OS/c1-3-11-24(12-4-1)29-21-23(22-30(33-29)25-13-5-2-6-14-25)19-20-26-27-15-7-9-17-31(27)34-32-18-10-8-16-28(26)32/h1-18,21-22H
InChI Key:
FMTCBQPGWGAKSO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=CC(=C=C=C2c3ccccc3Sc3c2cccc3)C=C(O1)c1ccccc1
Properties
Complexity:
839
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.123g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.571g/mol
Monoisotopic Mass:
452.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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