CHEBI:50011

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

CAS: 106440-52-2

Molecular Formula	`C40H42N12Na2O10S2`
Molecular Weight	960.9 g/mol
Topological Polar Surface Area	344.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	22
Rotatable Bonds	20
Exact Mass	960.23834
Heavy Atoms	66
Complexity	1470.0

Chemical Identifiers

CAS Number	106440-52-2
SMILES	`C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]`
InChIKey	`YJHDFAAFYNRKQE-UHFFFAOYSA-L`

📖 Product Overview

CHEBI:50011 (CAS: 106440-52-2) is a chemical compound with molecular formula C40H42N12Na2O10S2 and molecular weight 960.9 g/mol. Its IUPAC systematic name is disodium;5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate. Topological Polar Surface Area 344.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 22 Rotatable Bonds 20 Exact Mass 960.23834 Heavy Atoms 66 Complexity 1470.0 InChI Key: YJHDFAAFYNRKQE-UHFFFAOYSA-L. SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].

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