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2469-87-6 | Benzamide, N,N'-[(6-phenoxy-1,3,5-triazine-2,4-diyl)bis[imino(9,10-dihydro-9,10-dioxo-5,1-anthracenediyl)]]bis- (9CI)
CAS No: 2469-87-6 Catalog No: AG002P1H MDL No:
Product Description
Catalog Number:
AG002P1H
Chemical Name:
Benzamide, N,N'-[(6-phenoxy-1,3,5-triazine-2,4-diyl)bis[imino(9,10-dihydro-9,10-dioxo-5,1-anthracenediyl)]]bis- (9CI)
CAS Number:
2469-87-6
Molecular Formula:
C51H31N7O7
Molecular Weight:
853.8345
IUPAC Name:
N-[5-[[4-[(5-benzamido-9,10-dioxoanthracen-1-yl)amino]-6-phenoxy-1,3,5-triazin-2-yl]amino]-9,10-dioxoanthracen-1-yl]benzamide
InChI:
InChI=1S/C51H31N7O7/c59-43-33-22-12-26-37(41(33)45(61)31-20-10-24-35(39(31)43)52-47(63)28-14-4-1-5-15-28)54-49-56-50(58-51(57-49)65-30-18-8-3-9-19-30)55-38-27-13-23-34-42(38)46(62)32-21-11-25-36(40(32)44(34)60)53-48(64)29-16-6-2-7-17-29/h1-27H,(H,52,63)(H,53,64)(H2,54,55,56,57,58)
InChI Key:
UBZOMZRRLGXNJB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(ccc1)Nc1nc(nc(n1)Oc1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(ccc1)NC(=O)c1ccccc1
EC Number:
219-589-2
Properties
Complexity:
1650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
853.228g/mol
Formal Charge:
0
Heavy Atom Count:
65
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
853.851g/mol
Monoisotopic Mass:
853.228g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
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