tetrasodium;3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6,13-disulfonic acid;2-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;2-methyl-5,14-dihydroquinoxalino[3,2-b]phenazine-4,6,13-trisulfonic acid;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-6-sulfonate;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-13-sulfonate;hexakis(sulfur trioxide)

C114H80N24Na4O45S15 — CID 160686993

About tetrasodium;3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6,13-disulfonic acid;2-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;2-methyl-5,14-dihydroquinoxalino[3,2-b]phenazine-4,6,13-trisulfonic acid;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-6-sulfonate;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-13-sulfonate;hexakis(sulfur trioxide)

tetrasodium;3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6,13-disulfonic acid;2-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;2-methyl-5,14-dihydroquinoxalino[3,2-b]phenazine-4,6,13-trisulfonic acid;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-6-sulfonate;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-13-sulfonate;hexakis(sulfur trioxide) (PubChem CID 160686993) has the molecular formula C114H80N24Na4O45S15 and a molecular weight of 3078.98 g/mol. Its IUPAC name is tetrasodium;3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6,13-disulfonic acid;2-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;2-methyl-5,14-dihydroquinoxalino[3,2-b]phenazine-4,6,13-trisulfonic acid;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-6-sulfonate;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-13-sulfonate;hexakis(sulfur trioxide).

Molecular Properties

• Compound Name: tetrasodium;3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6,13-disulfonic acid;2-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;2-methyl-5,14-dihydroquinoxalino[3,2-b]phenazine-4,6,13-trisulfonic acid;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-6-sulfonate;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-13-sulfonate;hexakis(sulfur trioxide)
• PubChem CID: 160686993
• Molecular Formula: C114H80N24Na4O45S15
• Molecular Weight: 3078.98 g/mol
• Exact Mass: 3076.01
• IUPAC Name: tetrasodium;3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6,13-disulfonic acid;2-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;2-methyl-5,14-dihydroquinoxalino[3,2-b]phenazine-4,6,13-trisulfonic acid;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-6-sulfonate;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-13-sulfonate;hexakis(sulfur trioxide)
• SMILES: Cc1cc2c(c(S(=O)(=O)O)c1)Nc1c(c(S(=O)(=O)O)c3nc4ccccc4nc3c1S(=O)(=O)O)N2.Cc1ccc2c(c1)Nc1c(c(S(=O)(=O)O)c3nc4ccccc4nc3c1S(=O)(=O)O)N2.Cc1ccc2c(c1)Nc1c(cc3nc4c[c-]ccc4nc3c1S(=O)(=O)[O-])N2.Cc1ccc2c(c1)Nc1cc3nc4cc[c-]cc4nc3c(S(=O)(=O)[O-])c1N2.Cc1ccc2c(c1)Nc1cc3nc4ccccc4nc3c(S(=O)(=O)O)c1N2.Cc1ccc2nc3cc4c(c(S(=O)(=O)O)c3nc2c1)Nc1ccccc1N4.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C19H14N4O9S3.C19H14N4O6S2.C19H14N4O3S.C19H13N4O3S.C19H14N4O3S.C19H13N4O3S.4Na.6O3S/c1-8-6-11-13(12(7-8)33(24,25)26)23-17-16(22-11)18(34(27,28)29)14-15(19(17)35(30,31)32)21-10-5-3-2-4-9(10)20-14;1-9-6-7-12-13(8-9)23-17-16(22-12)18(30(24,25)26)14-15(19(17)31(27,28)29)21-11-5-3-2-4-10(11)20-14;2*1-10-6-7-13-14(8-10)21-16-9-15-17(19(18(16)23-13)27(24,25)26)22-12-5-3-2-4-11(12)20-15;2*1-10-6-7-13-14(8-10)23-18-16(21-13)9-15-17(19(18)27(24,25)26)22-12-5-3-2-4-11(12)20-15;;;;;6*1-4(2)3/h2-7,22-23H,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);2-8,22-23H,1H3,(H,24,25,26)(H,27,28,29);2-9,21,23H,1H3,(H,24,25,26);2,4-9,21,23H,1H3,(H,24,25,26);2-9,20,22H,1H3,(H,24,25,26);3-9,21,23H,1H3,(H,24,25,26);;;;;;;;;;/q;;;-1;;-1;4*+1;;;;;;/p-2
• InChIKey: ITEZNAKVBPUSGS-UHFFFAOYSA-L
• XLogP: 3.48
• TPSA: 1101.29 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 62
• Rotatable Bonds: 9
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3078.98
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	62

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrasodium;3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6,13-disulfonic acid;2-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;2-methyl-5,14-dihydroquinoxalino[3,2-b]phenazine-4,6,13-trisulfonic acid;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-6-sulfonate;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-13-sulfonate;hexakis(sulfur trioxide)?

The IUPAC name of tetrasodium;3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6,13-disulfonic acid;2-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;2-methyl-5,14-dihydroquinoxalino[3,2-b]phenazine-4,6,13-trisulfonic acid;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-6-sulfonate;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-13-sulfonate;hexakis(sulfur trioxide) (CID 160686993) is tetrasodium;3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6,13-disulfonic acid;2-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;2-methyl-5,14-dihydroquinoxalino[3,2-b]phenazine-4,6,13-trisulfonic acid;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-6-sulfonate;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-13-sulfonate;hexakis(sulfur trioxide).

What is the SMILES notation for tetrasodium;3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6,13-disulfonic acid;2-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;2-methyl-5,14-dihydroquinoxalino[3,2-b]phenazine-4,6,13-trisulfonic acid;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-6-sulfonate;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-13-sulfonate;hexakis(sulfur trioxide)?

The canonical SMILES for tetrasodium;3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6,13-disulfonic acid;2-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;2-methyl-5,14-dihydroquinoxalino[3,2-b]phenazine-4,6,13-trisulfonic acid;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-6-sulfonate;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-13-sulfonate;hexakis(sulfur trioxide) is Cc1cc2c(c(S(=O)(=O)O)c1)Nc1c(c(S(=O)(=O)O)c3nc4ccccc4nc3c1S(=O)(=O)O)N2.Cc1ccc2c(c1)Nc1c(c(S(=O)(=O)O)c3nc4ccccc4nc3c1S(=O)(=O)O)N2.Cc1ccc2c(c1)Nc1c(cc3nc4c[c-]ccc4nc3c1S(=O)(=O)[O-])N2.Cc1ccc2c(c1)Nc1cc3nc4cc[c-]cc4nc3c(S(=O)(=O)[O-])c1N2.Cc1ccc2c(c1)Nc1cc3nc4ccccc4nc3c(S(=O)(=O)O)c1N2.Cc1ccc2nc3cc4c(c(S(=O)(=O)O)c3nc2c1)Nc1ccccc1N4.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of tetrasodium;3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6,13-disulfonic acid;2-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;2-methyl-5,14-dihydroquinoxalino[3,2-b]phenazine-4,6,13-trisulfonic acid;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-6-sulfonate;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-13-sulfonate;hexakis(sulfur trioxide)?

The InChIKey is ITEZNAKVBPUSGS-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H14N4O9S3.C19H14N4O6S2.C19H14N4O3S.C19H13N4O3S.C19H14N4O3S.C19H13N4O3S.4Na.6O3S/c1-8-6-11-13(12(7-8)33(24,25)26)23-17-16(22-11)18(34(27,28)29)14-15(19(17)35(30,31)32)21-10-5-3-2-4-9(10)20-14;1-9-6-7-12-13(8-9)23-17-16(22-12)18(30(24,25)26)14-15(19(17)31(27,28)29)21-11-5-3-2-4-10(11)20-14;2*1-10-6-7-13-14(8-10)21-16-9-15-17(19(18(16)23-13)27(24,25)26)22-12-5-3-2-4-11(12)20-15;2*1-10-6-7-13-14(8-10)23-18-16(21-13)9-15-17(19(18)27(24,25)26)22-12-5-3-2-4-11(12)20-15;;;;;6*1-4(2)3/h2-7,22-23H,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);2-8,22-23H,1H3,(H,24,25,26)(H,27,28,29);2-9,21,23H,1H3,(H,24,25,26);2,4-9,21,23H,1H3,(H,24,25,26);2-9,20,22H,1H3,(H,24,25,26);3-9,21,23H,1H3,(H,24,25,26);;;;;;;;;;/q;;;-1;;-1;4*+1;;;;;;/p-2.

What are the key properties of tetrasodium;3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6,13-disulfonic acid;2-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;2-methyl-5,14-dihydroquinoxalino[3,2-b]phenazine-4,6,13-trisulfonic acid;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-6-sulfonate;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-13-sulfonate;hexakis(sulfur trioxide)?

tetrasodium;3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6,13-disulfonic acid;2-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;2-methyl-5,14-dihydroquinoxalino[3,2-b]phenazine-4,6,13-trisulfonic acid;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-6-sulfonate;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-13-sulfonate;hexakis(sulfur trioxide) has a molecular weight of 3078.98 g/mol, XLogP of 3.48, 9 rotatable bonds, 19 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for tetrasodium;3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6,13-disulfonic acid;2-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid;2-methyl-5,14-dihydroquinoxalino[3,2-b]phenazine-4,6,13-trisulfonic acid;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-6-sulfonate;2-methyl-9,14-dihydro-5H-quinoxalino[2,3-b]phenazin-9-ide-13-sulfonate;hexakis(sulfur trioxide) is sourced from PubChem (CID 160686993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).