RefChem:1058914 structure

RefChem:1058914

disodium;2-[(E)-2-[4-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzenesulfonate

Also Known As: 2,2'-Stilbenedisulfonic acid, 4-(4,6-dianilino-s-triazin-2-yl)amino-4'-(4-anilino-6-(diethylamino)-s-triazin-2-yl)amino-, disodium salt|Benzenesulfonic acid, 5-[[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(diethylamino)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-, disodium salt|disodium 2-[(E)-2-[4-[[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-5-[[4-diethylamino-6-(phenylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonate|disodium 2-[(E)-2-[4-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzenesulfonate

CAS: 78280-41-8
Molecular Formula C42H38N12Na2O6S2
Molecular Weight 916.2274 g/mol
LogP 1.6074
Topological Polar Surface Area 255.13 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 18
Rotatable Bonds 17
Exact Mass 916.2274
Monoisotopic Mass 916.2274
Heavy Atoms 64
Complexity 2879.985

Chemical Identifiers

CAS Number 78280-41-8
SMILES CCN(CC)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NC6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])NC7=CC=CC=C7.[Na+].[Na+]

Product Overview

RefChem:1058914 (CAS 78280-41-8), with molecular formula C42H38N12Na2O6S2 and molecular weight 916.2274 g/mol. IUPAC: disodium;2-[(E)-2-[4-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzenesulfonate.

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