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119802-60-7 | Propanedinitrile, 2-[9-(diethylamino)benzo[a]phenazin-5(7H)-ylidene]-
CAS No: 119802-60-7 Catalog No: AG000POE MDL No:
Product Description
Catalog Number:
AG000POE
Chemical Name:
Propanedinitrile, 2-[9-(diethylamino)benzo[a]phenazin-5(7H)-ylidene]-
CAS Number:
119802-60-7
Molecular Formula:
C23H19N5
Molecular Weight:
365.4305
IUPAC Name:
2-[9-(diethylamino)-7H-benzo[a]phenazin-5-ylidene]propanedinitrile
InChI:
InChI=1S/C23H19N5/c1-3-28(4-2)16-9-10-20-21(11-16)26-22-12-19(15(13-24)14-25)17-7-5-6-8-18(17)23(22)27-20/h5-12,26H,3-4H2,1-2H3
InChI Key:
KQBJTVLRHKGHJQ-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)[nH]c1c(n2)c2ccccc2c(=C(C#N)C#N)c1)CC
NSC Number:
631723
Properties
Complexity:
794
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.164g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.44g/mol
Monoisotopic Mass:
365.164g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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