dipotassium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate

C29H23K2N9O7S2 — CID 102269726

About dipotassium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate

dipotassium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate (PubChem CID 102269726) has the molecular formula C29H23K2N9O7S2 and a molecular weight of 751.89 g/mol. Its IUPAC name is dipotassium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate.

Molecular Properties

• Compound Name: dipotassium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate
• PubChem CID: 102269726
• Molecular Formula: C29H23K2N9O7S2
• Molecular Weight: 751.89 g/mol
• Exact Mass: 751.04
• IUPAC Name: dipotassium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate
• SMILES: Cc1cc(/N=N/c2ccc(/N=N/c3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)O)c(/N=N/c5ccccc5)c([O-])c4c3N)cc2)c(N)cc1N.[K+].[K+]
• InChI: InChI=1S/C29H25N9O7S2.2K/c1-15-11-22(21(31)14-20(15)30)36-33-18-7-9-19(10-8-18)35-37-27-23(46(40,41)42)12-16-13-24(47(43,44)45)28(29(39)25(16)26(27)32)38-34-17-5-3-2-4-6-17;;/h2-14,39H,30-32H2,1H3,(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2/b36-33+,37-35+,38-34+
• InChIKey: FUDTUXROQDLKHN-QQDNZVFKSA-L
• XLogP: 0.37
• TPSA: 286.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.89
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 dipotassium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate?

The IUPAC name of dipotassium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate (CID 102269726) is dipotassium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate.

What is the SMILES notation for dipotassium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate?

The canonical SMILES for dipotassium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate is Cc1cc(/N=N/c2ccc(/N=N/c3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)O)c(/N=N/c5ccccc5)c([O-])c4c3N)cc2)c(N)cc1N.[K+].[K+].

What is the InChIKey of dipotassium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate?

The InChIKey is FUDTUXROQDLKHN-QQDNZVFKSA-L. The full InChI is InChI=1S/C29H25N9O7S2.2K/c1-15-11-22(21(31)14-20(15)30)36-33-18-7-9-19(10-8-18)35-37-27-23(46(40,41)42)12-16-13-24(47(43,44)45)28(29(39)25(16)26(27)32)38-34-17-5-3-2-4-6-17;;/h2-14,39H,30-32H2,1H3,(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2/b36-33+,37-35+,38-34+;;.

What are the key properties of dipotassium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate?

dipotassium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate has a molecular weight of 751.89 g/mol, XLogP of 0.37, 8 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;4-amino-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]diazenyl]-5-oxido-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate is sourced from PubChem (CID 102269726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).