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132097-01-9 | Benzo[a]phenoxazin-7-ium, 9-(diethylamino)-5-[(2-naphthalenylcarbonyl)amino]-
CAS No: 132097-01-9 Catalog No: AG00106O MDL No:
Product Description
Catalog Number:
AG00106O
Chemical Name:
Benzo[a]phenoxazin-7-ium, 9-(diethylamino)-5-[(2-naphthalenylcarbonyl)amino]-
CAS Number:
132097-01-9
Molecular Formula:
C31H26N3O2+
Molecular Weight:
472.5570
IUPAC Name:
N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]naphthalene-2-carboxamide
InChI:
InChI=1S/C31H25N3O2/c1-3-34(4-2)23-15-16-26-28(18-23)36-29-19-27(24-11-7-8-12-25(24)30(29)32-26)33-31(35)22-14-13-20-9-5-6-10-21(20)17-22/h5-19H,3-4H2,1-2H3
InChI Key:
KISNZWYZDRRYKE-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)[o+]c1c(n2)c2ccccc2c(c1)NC(=O)c1ccc2c(c1)cccc2)CC
Properties
Complexity:
919
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.195g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
471.56g/mol
Monoisotopic Mass:
471.195g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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