7-[[4-[[4-[[4-[[4-[(6,8-disulfo-7,8-dihydronaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid

C53H50N10O17S4 — CID 146202031

About 7-[[4-[[4-[[4-[[4-[(6,8-disulfo-7,8-dihydronaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid

7-[[4-[[4-[[4-[[4-[(6,8-disulfo-7,8-dihydronaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid (PubChem CID 146202031) has the molecular formula C53H50N10O17S4 and a molecular weight of 1227.30 g/mol. Its IUPAC name is 7-[[4-[[4-[[4-[[4-[(6,8-disulfo-7,8-dihydronaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid.

Molecular Properties

• Compound Name: 7-[[4-[[4-[[4-[[4-[(6,8-disulfo-7,8-dihydronaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid
• PubChem CID: 146202031
• Molecular Formula: C53H50N10O17S4
• Molecular Weight: 1227.30 g/mol
• Exact Mass: 1226.22
• IUPAC Name: 7-[[4-[[4-[[4-[[4-[(6,8-disulfo-7,8-dihydronaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid
• SMILES: COc1cc(/N=N/c2cc(C)c(NC(=O)Nc3cc(C)c(/N=N/c4cc(OC)c(/N=N/c5ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c6c5)cc4OC)cc3C)cc2C)c(OC)cc1/N=N/c1ccc2c(c1)C(S(=O)(=O)O)CC(S(=O)(=O)O)=C2
• InChI: InChI=1S/C53H50N10O17S4/c1-27-15-41(58-62-45-25-47(77-5)43(23-49(45)79-7)60-56-33-11-9-31-17-35(81(65,66)67)21-51(37(31)19-33)83(71,72)73)29(3)13-39(27)54-53(64)55-40-14-30(4)42(16-28(40)2)59-63-46-26-48(78-6)44(24-50(46)80-8)61-57-34-12-10-32-18-36(82(68,69)70)22-52(38(32)20-34)84(74,75)76/h9-21,23-26,52H,22H2,1-8H3,(H2,54,55,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)/b60-56+,61-57+,62-58+,63-59+
• InChIKey: HLXHNCWTRFWKMV-IJDDOKQXSA-N
• XLogP: 13.47
• TPSA: 394.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1227.30
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

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-[[4-[(6,8-disulfo-7,8-dihydronaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid?

The IUPAC name of 7-[[4-[[4-[[4-[[4-[(6,8-disulfo-7,8-dihydronaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid (CID 146202031) is 7-[[4-[[4-[[4-[[4-[(6,8-disulfo-7,8-dihydronaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid.

What is the SMILES notation for 7-[[4-[[4-[[4-[[4-[(6,8-disulfo-7,8-dihydronaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid?

The canonical SMILES for 7-[[4-[[4-[[4-[[4-[(6,8-disulfo-7,8-dihydronaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid is COc1cc(/N=N/c2cc(C)c(NC(=O)Nc3cc(C)c(/N=N/c4cc(OC)c(/N=N/c5ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c6c5)cc4OC)cc3C)cc2C)c(OC)cc1/N=N/c1ccc2c(c1)C(S(=O)(=O)O)CC(S(=O)(=O)O)=C2.

What is the InChIKey of 7-[[4-[[4-[[4-[[4-[(6,8-disulfo-7,8-dihydronaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid?

The InChIKey is HLXHNCWTRFWKMV-IJDDOKQXSA-N. The full InChI is InChI=1S/C53H50N10O17S4/c1-27-15-41(58-62-45-25-47(77-5)43(23-49(45)79-7)60-56-33-11-9-31-17-35(81(65,66)67)21-51(37(31)19-33)83(71,72)73)29(3)13-39(27)54-53(64)55-40-14-30(4)42(16-28(40)2)59-63-46-26-48(78-6)44(24-50(46)80-8)61-57-34-12-10-32-18-36(82(68,69)70)22-52(38(32)20-34)84(74,75)76/h9-21,23-26,52H,22H2,1-8H3,(H2,54,55,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)/b60-56+,61-57+,62-58+,63-59+.

What are the key properties of 7-[[4-[[4-[[4-[[4-[(6,8-disulfo-7,8-dihydronaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid?

7-[[4-[[4-[[4-[[4-[(6,8-disulfo-7,8-dihydronaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid has a molecular weight of 1227.30 g/mol, XLogP of 13.47, 18 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-[[4-[[4-[[4-[(6,8-disulfo-7,8-dihydronaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]carbamoylamino]-2,5-dimethylphenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid is sourced from PubChem (CID 146202031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).