7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid

C47H37N9O8S2 — CID 137279954

About 7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid

7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid (PubChem CID 137279954) has the molecular formula C47H37N9O8S2 and a molecular weight of 920.00 g/mol. Its IUPAC name is 7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid.

Molecular Properties

• Compound Name: 7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid
• PubChem CID: 137279954
• Molecular Formula: C47H37N9O8S2
• Molecular Weight: 920.00 g/mol
• Exact Mass: 919.22
• IUPAC Name: 7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid
• SMILES: Cc1cc(/N=N/c2cc(O)c(/N=N/c3ccc4cc(Nc5ccccc5)ccc4c3O)cc2C)ccc1/N=N/c1ccc(/N=N/c2cc3c(S(=O)(=O)O)cccc3cc2S(=O)(=O)O)c(C)c1
• InChI: InChI=1S/C47H37N9O8S2/c1-27-20-35(50-54-41-26-44(57)42(22-29(41)3)55-53-40-17-12-31-23-33(13-16-36(31)47(40)58)48-32-9-5-4-6-10-32)14-18-38(27)51-49-34-15-19-39(28(2)21-34)52-56-43-25-37-30(24-46(43)66(62,63)64)8-7-11-45(37)65(59,60)61/h4-26,48,57-58H,1-3H3,(H,59,60,61)(H,62,63,64)/b51-49+,54-50+,55-53+,56-52+
• InChIKey: DNCFHZPVEZEYGL-BNVGOAJQSA-N
• XLogP: 14.23
• TPSA: 260.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	920.00
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid?

The IUPAC name of 7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid (CID 137279954) is 7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid.

What is the SMILES notation for 7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid?

The canonical SMILES for 7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid is Cc1cc(/N=N/c2cc(O)c(/N=N/c3ccc4cc(Nc5ccccc5)ccc4c3O)cc2C)ccc1/N=N/c1ccc(/N=N/c2cc3c(S(=O)(=O)O)cccc3cc2S(=O)(=O)O)c(C)c1.

What is the InChIKey of 7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid?

The InChIKey is DNCFHZPVEZEYGL-BNVGOAJQSA-N. The full InChI is InChI=1S/C47H37N9O8S2/c1-27-20-35(50-54-41-26-44(57)42(22-29(41)3)55-53-40-17-12-31-23-33(13-16-36(31)47(40)58)48-32-9-5-4-6-10-32)14-18-38(27)51-49-34-15-19-39(28(2)21-34)52-56-43-25-37-30(24-46(43)66(62,63)64)8-7-11-45(37)65(59,60)61/h4-26,48,57-58H,1-3H3,(H,59,60,61)(H,62,63,64)/b51-49+,54-50+,55-53+,56-52+.

What are the key properties of 7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid?

7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid has a molecular weight of 920.00 g/mol, XLogP of 14.23, 12 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid is sourced from PubChem (CID 137279954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).