2-methoxy-5-[4-[4-[N-(4-methoxy-3-oxidophenyl)-4-(N-phenylanilino)anilino]phenyl]-N-[4-(N-phenylanilino)phenyl]anilino]phenolate;2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate;2-methylsulfanyl-5-(N-[4-(N-[4-[4-(N-[4-(N-(4-methylsulfanyl-3-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate

C186H144N12O16S8-6 — CID 159811601

About 2-methoxy-5-[4-[4-[N-(4-methoxy-3-oxidophenyl)-4-(N-phenylanilino)anilino]phenyl]-N-[4-(N-phenylanilino)phenyl]anilino]phenolate;2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate;2-methylsulfanyl-5-(N-[4-(N-[4-[4-(N-[4-(N-(4-methylsulfanyl-3-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate

2-methoxy-5-[4-[4-[N-(4-methoxy-3-oxidophenyl)-4-(N-phenylanilino)anilino]phenyl]-N-[4-(N-phenylanilino)phenyl]anilino]phenolate;2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate;2-methylsulfanyl-5-(N-[4-(N-[4-[4-(N-[4-(N-(4-methylsulfanyl-3-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate (PubChem CID 159811601) has the molecular formula C186H144N12O16S8-6 and a molecular weight of 3059.80 g/mol. Its IUPAC name is 2-methoxy-5-[4-[4-[N-(4-methoxy-3-oxidophenyl)-4-(N-phenylanilino)anilino]phenyl]-N-[4-(N-phenylanilino)phenyl]anilino]phenolate;2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate;2-methylsulfanyl-5-(N-[4-(N-[4-[4-(N-[4-(N-(4-methylsulfanyl-3-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate.

Molecular Properties

• Compound Name: 2-methoxy-5-[4-[4-[N-(4-methoxy-3-oxidophenyl)-4-(N-phenylanilino)anilino]phenyl]-N-[4-(N-phenylanilino)phenyl]anilino]phenolate;2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate;2-methylsulfanyl-5-(N-[4-(N-[4-[4-(N-[4-(N-(4-methylsulfanyl-3-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate
• PubChem CID: 159811601
• Molecular Formula: C186H144N12O16S8-6
• Molecular Weight: 3059.80 g/mol
• Exact Mass: 3056.86
• IUPAC Name: 2-methoxy-5-[4-[4-[N-(4-methoxy-3-oxidophenyl)-4-(N-phenylanilino)anilino]phenyl]-N-[4-(N-phenylanilino)phenyl]anilino]phenolate;2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate;2-methylsulfanyl-5-(N-[4-(N-[4-[4-(N-[4-(N-(4-methylsulfanyl-3-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate
• SMILES: COc1ccc(N(c2ccc(-c3ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(OC)c([O-])c4)cc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1[O-].CSc1cc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccc(S(=O)(=O)[O-])c(SC)c6)cc5)cc4)cc3)cc2)ccc1S(=O)(=O)[O-].CSc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccc(SC)c(S(=O)(=O)[O-])c6)cc5)cc4)cc3)cc2)cc1S(=O)(=O)[O-]
• InChI: InChI=1S/2C62H50N4O6S4.C62H50N4O4/c1-73-59-43-57(39-41-61(59)75(67,68)69)65(49-19-11-5-12-20-49)55-35-31-53(32-36-55)63(47-15-7-3-8-16-47)51-27-23-45(24-28-51)46-25-29-52(30-26-46)64(48-17-9-4-10-18-48)54-33-37-56(38-34-54)66(50-21-13-6-14-22-50)58-40-42-62(76(70,71)72)60(44-58)74-2;1-73-59-41-39-57(43-61(59)75(67,68)69)65(49-19-11-5-12-20-49)55-35-31-53(32-36-55)63(47-15-7-3-8-16-47)51-27-23-45(24-28-51)46-25-29-52(30-26-46)64(48-17-9-4-10-18-48)54-33-37-56(38-34-54)66(50-21-13-6-14-22-50)58-40-42-60(74-2)62(44-58)76(70,71)72;1-69-61-41-39-57(43-59(61)67)65(55-35-31-53(32-36-55)63(47-15-7-3-8-16-47)48-17-9-4-10-18-48)51-27-23-45(24-28-51)46-25-29-52(30-26-46)66(58-40-42-62(70-2)60(68)44-58)56-37-33-54(34-38-56)64(49-19-11-5-12-20-49)50-21-13-6-14-22-50/h2*3-44H,1-2H3,(H,67,68,69)(H,70,71,72);3-44,67-68H,1-2H3/p-6
• InChIKey: NLCBYZARCGLIES-UHFFFAOYSA-H
• XLogP: 48.37
• TPSA: 332.26 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 49
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3059.80
LogP ≤ 5	48.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-[4-[N-(4-methoxy-3-oxidophenyl)-4-(N-phenylanilino)anilino]phenyl]-N-[4-(N-phenylanilino)phenyl]anilino]phenolate;2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate;2-methylsulfanyl-5-(N-[4-(N-[4-[4-(N-[4-(N-(4-methylsulfanyl-3-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate?

The IUPAC name of 2-methoxy-5-[4-[4-[N-(4-methoxy-3-oxidophenyl)-4-(N-phenylanilino)anilino]phenyl]-N-[4-(N-phenylanilino)phenyl]anilino]phenolate;2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate;2-methylsulfanyl-5-(N-[4-(N-[4-[4-(N-[4-(N-(4-methylsulfanyl-3-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate (CID 159811601) is 2-methoxy-5-[4-[4-[N-(4-methoxy-3-oxidophenyl)-4-(N-phenylanilino)anilino]phenyl]-N-[4-(N-phenylanilino)phenyl]anilino]phenolate;2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate;2-methylsulfanyl-5-(N-[4-(N-[4-[4-(N-[4-(N-(4-methylsulfanyl-3-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate.

What is the SMILES notation for 2-methoxy-5-[4-[4-[N-(4-methoxy-3-oxidophenyl)-4-(N-phenylanilino)anilino]phenyl]-N-[4-(N-phenylanilino)phenyl]anilino]phenolate;2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate;2-methylsulfanyl-5-(N-[4-(N-[4-[4-(N-[4-(N-(4-methylsulfanyl-3-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate?

The canonical SMILES for 2-methoxy-5-[4-[4-[N-(4-methoxy-3-oxidophenyl)-4-(N-phenylanilino)anilino]phenyl]-N-[4-(N-phenylanilino)phenyl]anilino]phenolate;2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate;2-methylsulfanyl-5-(N-[4-(N-[4-[4-(N-[4-(N-(4-methylsulfanyl-3-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate is COc1ccc(N(c2ccc(-c3ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(OC)c([O-])c4)cc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1[O-].CSc1cc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccc(S(=O)(=O)[O-])c(SC)c6)cc5)cc4)cc3)cc2)ccc1S(=O)(=O)[O-].CSc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccc(SC)c(S(=O)(=O)[O-])c6)cc5)cc4)cc3)cc2)cc1S(=O)(=O)[O-].

What is the InChIKey of 2-methoxy-5-[4-[4-[N-(4-methoxy-3-oxidophenyl)-4-(N-phenylanilino)anilino]phenyl]-N-[4-(N-phenylanilino)phenyl]anilino]phenolate;2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate;2-methylsulfanyl-5-(N-[4-(N-[4-[4-(N-[4-(N-(4-methylsulfanyl-3-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate?

The InChIKey is NLCBYZARCGLIES-UHFFFAOYSA-H. The full InChI is InChI=1S/2C62H50N4O6S4.C62H50N4O4/c1-73-59-43-57(39-41-61(59)75(67,68)69)65(49-19-11-5-12-20-49)55-35-31-53(32-36-55)63(47-15-7-3-8-16-47)51-27-23-45(24-28-51)46-25-29-52(30-26-46)64(48-17-9-4-10-18-48)54-33-37-56(38-34-54)66(50-21-13-6-14-22-50)58-40-42-62(76(70,71)72)60(44-58)74-2;1-73-59-41-39-57(43-61(59)75(67,68)69)65(49-19-11-5-12-20-49)55-35-31-53(32-36-55)63(47-15-7-3-8-16-47)51-27-23-45(24-28-51)46-25-29-52(30-26-46)64(48-17-9-4-10-18-48)54-33-37-56(38-34-54)66(50-21-13-6-14-22-50)58-40-42-60(74-2)62(44-58)76(70,71)72;1-69-61-41-39-57(43-59(61)67)65(55-35-31-53(32-36-55)63(47-15-7-3-8-16-47)48-17-9-4-10-18-48)51-27-23-45(24-28-51)46-25-29-52(30-26-46)66(58-40-42-62(70-2)60(68)44-58)56-37-33-54(34-38-56)64(49-19-11-5-12-20-49)50-21-13-6-14-22-50/h2*3-44H,1-2H3,(H,67,68,69)(H,70,71,72);3-44,67-68H,1-2H3/p-6.

What are the key properties of 2-methoxy-5-[4-[4-[N-(4-methoxy-3-oxidophenyl)-4-(N-phenylanilino)anilino]phenyl]-N-[4-(N-phenylanilino)phenyl]anilino]phenolate;2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate;2-methylsulfanyl-5-(N-[4-(N-[4-[4-(N-[4-(N-(4-methylsulfanyl-3-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate?

2-methoxy-5-[4-[4-[N-(4-methoxy-3-oxidophenyl)-4-(N-phenylanilino)anilino]phenyl]-N-[4-(N-phenylanilino)phenyl]anilino]phenolate;2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate;2-methylsulfanyl-5-(N-[4-(N-[4-[4-(N-[4-(N-(4-methylsulfanyl-3-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate has a molecular weight of 3059.80 g/mol, XLogP of 48.37, 49 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-5-[4-[4-[N-(4-methoxy-3-oxidophenyl)-4-(N-phenylanilino)anilino]phenyl]-N-[4-(N-phenylanilino)phenyl]anilino]phenolate;2-methylsulfanyl-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methylsulfanyl-4-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate;2-methylsulfanyl-5-(N-[4-(N-[4-[4-(N-[4-(N-(4-methylsulfanyl-3-sulfonatophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonate is sourced from PubChem (CID 159811601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).