[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium

C185H218N12O12S12+4 — CID 157052237

About [9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium

[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium (PubChem CID 157052237) has the molecular formula C185H218N12O12S12+4 and a molecular weight of 3186.65 g/mol. Its IUPAC name is [9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium.

Molecular Properties

• Compound Name: [9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium
• PubChem CID: 157052237
• Molecular Formula: C185H218N12O12S12+4
• Molecular Weight: 3186.65 g/mol
• Exact Mass: 3183.34
• IUPAC Name: [9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium
• SMILES: CCCCC(CC)CNS(=O)(=O)c1ccccc1-c1c2cc/c(=[N+](\CCC)CCSc3ccccc3)cc-2oc2cc(N(CC)CCSc3ccccc3)ccc12.CCCCC(CC)CNS(=O)(=O)c1ccccc1-c1c2cc/c(=[N+](\CCC)CCSc3ccccc3)cc-2oc2cc(N(CCC)CCSc3ccccc3)ccc12.CCCN(CCSc1ccccc1)c1ccc2c(-c3ccccc3S(CC)(CC)ON=O)c3cc/c(=[N+](\CCC)CCSc4ccccc4)cc-3oc2c1.CCN(CCSc1ccccc1)c1ccc2c(-c3ccccc3S(CC)(CC)ON=O)c3cc/c(=[N+](\CC)CCSc4ccccc4)cc-3oc2c1
• InChI: InChI=1S/C49H60N3O3S3.C48H58N3O3S3.C45H52N3O3S3.C43H48N3O3S3/c1-5-9-18-38(8-4)37-50-58(53,54)48-24-17-16-23-45(48)49-43-27-25-39(51(29-6-2)31-33-56-41-19-12-10-13-20-41)35-46(43)55-47-36-40(26-28-44(47)49)52(30-7-3)32-34-57-42-21-14-11-15-22-42;1-5-9-18-37(7-3)36-49-57(52,53)47-24-17-16-23-44(47)48-42-27-25-38(50(8-4)30-32-55-40-19-12-10-13-20-40)34-45(42)54-46-35-39(26-28-43(46)48)51(29-6-2)31-33-56-41-21-14-11-15-22-41;1-5-27-47(29-31-52-37-17-11-9-12-18-37)35-23-25-39-42(33-35)50-43-34-36(48(28-6-2)30-32-53-38-19-13-10-14-20-38)24-26-40(43)45(39)41-21-15-16-22-44(41)54(7-3,8-4)51-46-49;1-5-45(27-29-50-35-17-11-9-12-18-35)33-23-25-37-40(31-33)48-41-32-34(46(6-2)28-30-51-36-19-13-10-14-20-36)24-26-38(41)43(37)39-21-15-16-22-42(39)52(7-3,8-4)49-44-47/h10-17,19-28,35-36,38,50H,5-9,18,29-34,37H2,1-4H3;10-17,19-28,34-35,37,49H,5-9,18,29-33,36H2,1-4H3;9-26,33-34H,5-8,27-32H2,1-4H3;9-26,31-32H,5-8,27-30H2,1-4H3/q4*+1
• InChIKey: AAIPEMYUGQROBA-UHFFFAOYSA-N
• XLogP: 46.20
• TPSA: 247.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 79
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3186.65
LogP ≤ 5	46.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium?

The IUPAC name of [9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium (CID 157052237) is [9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium.

What is the SMILES notation for [9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium?

The canonical SMILES for [9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium is CCCCC(CC)CNS(=O)(=O)c1ccccc1-c1c2cc/c(=[N+](\CCC)CCSc3ccccc3)cc-2oc2cc(N(CC)CCSc3ccccc3)ccc12.CCCCC(CC)CNS(=O)(=O)c1ccccc1-c1c2cc/c(=[N+](\CCC)CCSc3ccccc3)cc-2oc2cc(N(CCC)CCSc3ccccc3)ccc12.CCCN(CCSc1ccccc1)c1ccc2c(-c3ccccc3S(CC)(CC)ON=O)c3cc/c(=[N+](\CCC)CCSc4ccccc4)cc-3oc2c1.CCN(CCSc1ccccc1)c1ccc2c(-c3ccccc3S(CC)(CC)ON=O)c3cc/c(=[N+](\CC)CCSc4ccccc4)cc-3oc2c1.

What is the InChIKey of [9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium?

The InChIKey is AAIPEMYUGQROBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H60N3O3S3.C48H58N3O3S3.C45H52N3O3S3.C43H48N3O3S3/c1-5-9-18-38(8-4)37-50-58(53,54)48-24-17-16-23-45(48)49-43-27-25-39(51(29-6-2)31-33-56-41-19-12-10-13-20-41)35-46(43)55-47-36-40(26-28-44(47)49)52(30-7-3)32-34-57-42-21-14-11-15-22-42;1-5-9-18-37(7-3)36-49-57(52,53)47-24-17-16-23-44(47)48-42-27-25-38(50(8-4)30-32-55-40-19-12-10-13-20-40)34-45(42)54-46-35-39(26-28-43(46)48)51(29-6-2)31-33-56-41-21-14-11-15-22-41;1-5-27-47(29-31-52-37-17-11-9-12-18-37)35-23-25-39-42(33-35)50-43-34-36(48(28-6-2)30-32-53-38-19-13-10-14-20-38)24-26-40(43)45(39)41-21-15-16-22-44(41)54(7-3,8-4)51-46-49;1-5-45(27-29-50-35-17-11-9-12-18-35)33-23-25-37-40(31-33)48-41-32-34(46(6-2)28-30-51-36-19-13-10-14-20-36)24-26-38(41)43(37)39-21-15-16-22-42(39)52(7-3,8-4)49-44-47/h10-17,19-28,35-36,38,50H,5-9,18,29-34,37H2,1-4H3;10-17,19-28,34-35,37,49H,5-9,18,29-33,36H2,1-4H3;9-26,33-34H,5-8,27-32H2,1-4H3;9-26,31-32H,5-8,27-30H2,1-4H3/q4*+1.

What are the key properties of [9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium?

[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium has a molecular weight of 3186.65 g/mol, XLogP of 46.20, 79 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium is sourced from PubChem (CID 157052237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).