disodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate)

C48H30N4Na2O6S2 — CID 158386780

IUPACdisodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate)
SMILESO=S(=O)([O-])c1ccc2cc3nc(-c4ccccc4)c(-c4ccccc4)nc3cc2c1.O=S(=O)([O-])c1ccc2cc3nc(-c4ccccc4)c(-c4ccccc4)nc3cc2c1.[Na+].[Na+]
InChIInChI=1S/2C24H16N2O3S.2Na/c2*27-30(28,29)20-12-11-18-14-21-22(15-19(18)13-20)26-24(17-9-5-2-6-10-17)23(25-21)16-7-3-1-4-8-16;;/h2*1-15H,(H,27,28,29);;/q;;2*+1/p-2
InChIKeyULZLUQQEGFLIIY-UHFFFAOYSA-L
MW868.90 g/mol
LogP4.05
Rot. Bonds6

About disodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate)

disodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate) (PubChem CID 158386780) has the molecular formula C48H30N4Na2O6S2 and a molecular weight of 868.90 g/mol. Its IUPAC name is disodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate).

Molecular Properties

Compound Namedisodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate)
PubChem CID158386780
Molecular FormulaC48H30N4Na2O6S2
Molecular Weight868.90 g/mol
Exact Mass868.14
IUPAC Namedisodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate)
SMILESO=S(=O)([O-])c1ccc2cc3nc(-c4ccccc4)c(-c4ccccc4)nc3cc2c1.O=S(=O)([O-])c1ccc2cc3nc(-c4ccccc4)c(-c4ccccc4)nc3cc2c1.[Na+].[Na+]
InChIInChI=1S/2C24H16N2O3S.2Na/c2*27-30(28,29)20-12-11-18-14-21-22(15-19(18)13-20)26-24(17-9-5-2-6-10-17)23(25-21)16-7-3-1-4-8-16;;/h2*1-15H,(H,27,28,29);;/q;;2*+1/p-2
InChIKeyULZLUQQEGFLIIY-UHFFFAOYSA-L
XLogP4.05
TPSA165.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500868.90
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

disodium;3-phenyldiazenylnaphthalene-2,7-disulfonate
CID 162224475
6,7-diiodonaphthalene-2-sulfonate
CID 177131444
sodium 6,7-dibenzoyloxynaphthalene-2-sulfonate
CID 102014859
potassium 6,7-dimethylnaphthalene-2-sulfonate
CID 101323807
disodium;6-oxido-7-sulfonaphthalene-2-sulfonate
CID 101310177
sodium 7-hydroxynaphthalene-2-sulfonate
CID 23667647
N-(2,3-diphenylquinoxalin-6-yl)ethanesulfonamide
CID 71295981
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
bis(diaminomethylideneazanium);naphthalene-2,6-disulfonate
CID 142698795
sodium;benzenesulfonate;hydrate
CID 23670746
6,7-dimethoxynaphthalene-2-sulfonate
CID 18415261
sodium 6,7-dipropylnaphthalene-2-sulfonate
CID 101324973

Frequently Asked Questions

What is the IUPAC name of disodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate)?
The IUPAC name of disodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate) (CID 158386780) is disodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate).
What is the SMILES notation for disodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate)?
The canonical SMILES for disodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate) is O=S(=O)([O-])c1ccc2cc3nc(-c4ccccc4)c(-c4ccccc4)nc3cc2c1.O=S(=O)([O-])c1ccc2cc3nc(-c4ccccc4)c(-c4ccccc4)nc3cc2c1.[Na+].[Na+].
What is the InChIKey of disodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate)?
The InChIKey is ULZLUQQEGFLIIY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C24H16N2O3S.2Na/c2*27-30(28,29)20-12-11-18-14-21-22(15-19(18)13-20)26-24(17-9-5-2-6-10-17)23(25-21)16-7-3-1-4-8-16;;/h2*1-15H,(H,27,28,29);;/q;;2*+1/p-2.
What are the key properties of disodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate)?
disodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate) has a molecular weight of 868.90 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate) is sourced from PubChem (CID 158386780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).