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202-72-2 | Diphenanthro[9,10-b:9',10'-d]thiophene
CAS No: 202-72-2 Catalog No: AG00280A MDL No:
Product Description
Catalog Number:
AG00280A
Chemical Name:
Diphenanthro[9,10-b:9',10'-d]thiophene
CAS Number:
202-72-2
Molecular Formula:
C28H16S
Molecular Weight:
384.4916
IUPAC Name:
16-thiaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene
InChI:
InChI=1S/C28H16S/c1-5-13-21-17(9-1)19-11-3-7-15-23(19)27-25(21)26-22-14-6-2-10-18(22)20-12-4-8-16-24(20)28(26)29-27/h1-16H
InChI Key:
XVVNDPCXBLFCTC-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1sc3c(c1c1c2cccc1)c1ccccc1c1c3cccc1
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.097g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.496g/mol
Monoisotopic Mass:
384.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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