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222-06-0 | 8H-Dinaphtho[2,3-c:2',3'-h]phenothiazine
CAS No: 222-06-0 Catalog No: AG007P7S MDL No:
Product Description
Catalog Number:
AG007P7S
Chemical Name:
8H-Dinaphtho[2,3-c:2',3'-h]phenothiazine
CAS Number:
222-06-0
Molecular Formula:
C28H17NS
Molecular Weight:
399.5063
IUPAC Name:
2-thia-17-azaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene
InChI:
InChI=1S/C28H17NS/c1-3-7-19-15-23-21(13-17(19)5-1)9-11-25-27(23)30-28-24-16-20-8-4-2-6-18(20)14-22(24)10-12-26(28)29-25/h1-16,29H
InChI Key:
OWWUCHZBNNZIOC-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1c(c2)ccc2c1Sc1c(N2)ccc2c1cc1ccccc1c2
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.108g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.511g/mol
Monoisotopic Mass:
399.108g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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