Sodium 4,4'-(1,10-phenanthroline-4,7-diyl)dibenzenesulfonate

Catalog Number	ACM53744426-1
CAS	53744-42-6
Structure
Synonyms	1,10-Phenanthrolinedisulfonic acid, 4,7-diphenyl-, disodium salt; Disodium bathophenanthrolinedisulfonate
IUPAC Name	disodium;4-[7-(4-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate
Molecular Weight	536.49
Molecular Formula	C24H14N2Na2O6S2
Canonical SMILES	C1=CC(=CC=C1C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChI	PCNDSIWXTYFWIA-UHFFFAOYSA-L
InChI Key	InChI=1S/C24H16N2O6S2.2Na/c27-33(28,29)17-5-1-15(2-6-17)19-11-13-25-23-21(19)9-10-22-20(12-14-26-24(22)23)16-3-7-18(8-4-16)34(30,31)32;;/h1-14H,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2
Melting Point	300 °C
Purity	98%
EC Number	258-740-7
Exact Mass	536.00886708
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Monoisotopic Mass	536.00886708
Rotatable Bond Count	2
Topological Polar Surface Area	157 Ų