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190-80-7 | Dibenz[h,h']anthra[9,1,2-cde:10,4,3-c'd'e']dicinnoline (9CI)
CAS No: 190-80-7 Catalog No: AG002E7X MDL No:
Product Description
Catalog Number:
AG002E7X
Chemical Name:
Dibenz[h,h']anthra[9,1,2-cde:10,4,3-c'd'e']dicinnoline (9CI)
CAS Number:
190-80-7
Molecular Formula:
C30H14N4
Molecular Weight:
430.4590
IUPAC Name:
13,14,23,24-tetrazanonacyclo[20.12.0.02,15.03,12.04,33.06,11.016,21.025,34.026,31]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene
InChI:
InChI=1S/C30H14N4/c1-3-9-17-15(7-1)13-21-22-14-16-8-2-4-10-18(16)28-24(22)26-25-23(21)27(17)31-33-29(25)19-11-5-6-12-20(19)30(26)34-32-28/h1-14H
InChI Key:
AYANGSXYFSAVAX-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1c3c2nnc2c3c3c4c1cc1ccccc1c4nnc3c1c2cccc1
Properties
Complexity:
750
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.122g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.47g/mol
Monoisotopic Mass:
430.122g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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