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198-28-7 | 19H-Pyrido[2,3,4-lm]anthrazine (8CI,9CI)
CAS No: 198-28-7 Catalog No: AG002B7R MDL No:
Product Description
Catalog Number:
AG002B7R
Chemical Name:
19H-Pyrido[2,3,4-lm]anthrazine (8CI,9CI)
CAS Number:
198-28-7
Molecular Formula:
C30H19N3
Molecular Weight:
421.4920
IUPAC Name:
3,18,22-triazaoctacyclo[19.11.1.02,19.04,17.07,16.09,14.025,33.026,31]tritriaconta-1,4(17),5,7,9,11,13,15,19,21,23,25(33),26,28,30-pentadecaene
InChI:
InChI=1S/C30H19N3/c1-2-6-18-14-23-20(13-17(18)5-1)9-10-25-29(23)33-27-16-26-28-22(11-12-31-26)21-8-4-3-7-19(21)15-24(28)30(27)32-25/h1-14,16,32-33H,15H2
InChI Key:
XOWIVTCYUIUYSA-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1ccnc3c1c(C2)c1nc2ccc4c(c2nc1c3)cc1c(c4)cccc1
Properties
Complexity:
738
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.158g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
421.503g/mol
Monoisotopic Mass:
421.158g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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