trisodium;4-amino-3-[[4-[[4-amino-6-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]cyclohexa-1,4-dien-1-yl]diazenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate

C34H23N10Na3O11S3 — CID 57354487

About trisodium;4-amino-3-[[4-[[4-amino-6-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]cyclohexa-1,4-dien-1-yl]diazenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate

trisodium;4-amino-3-[[4-[[4-amino-6-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]cyclohexa-1,4-dien-1-yl]diazenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate (PubChem CID 57354487) has the molecular formula C34H23N10Na3O11S3 and a molecular weight of 912.79 g/mol. Its IUPAC name is trisodium;4-amino-3-[[4-[[4-amino-6-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]cyclohexa-1,4-dien-1-yl]diazenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate.

Molecular Properties

• Compound Name: trisodium;4-amino-3-[[4-[[4-amino-6-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]cyclohexa-1,4-dien-1-yl]diazenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
• PubChem CID: 57354487
• Molecular Formula: C34H23N10Na3O11S3
• Molecular Weight: 912.79 g/mol
• Exact Mass: 912.04
• IUPAC Name: trisodium;4-amino-3-[[4-[[4-amino-6-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]cyclohexa-1,4-dien-1-yl]diazenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
• SMILES: NC1=CC(=O)C(/N=N/c2ccc(/N=N/c3c(S(=O)(=O)[O-])cc4c(c3N)C(=O)C(=NNc3ccccc3)C(S(=O)(=O)[O-])=C4)cc2)=CC1=NNc1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]
• InChI: InChI=1S/C34H26N10O11S3.3Na/c35-24-16-27(45)26(17-25(24)41-37-22-10-12-23(13-11-22)56(47,48)49)42-38-20-6-8-21(9-7-20)40-43-32-28(57(50,51)52)14-18-15-29(58(53,54)55)33(34(46)30(18)31(32)36)44-39-19-4-2-1-3-5-19;;;/h1-17,37,39H,35-36H2,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/b41-25?,42-38+,43-40+,44-33?
• InChIKey: OAFBYUHORHHEGZ-HGTDXZLJSA-K
• XLogP: -5.08
• TPSA: 356.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.79
LogP ≤ 5	-5.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hzone_enamin(30)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trisodium;4-amino-3-[[4-[[4-amino-6-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]cyclohexa-1,4-dien-1-yl]diazenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate?

The IUPAC name of trisodium;4-amino-3-[[4-[[4-amino-6-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]cyclohexa-1,4-dien-1-yl]diazenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate (CID 57354487) is trisodium;4-amino-3-[[4-[[4-amino-6-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]cyclohexa-1,4-dien-1-yl]diazenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate.

What is the SMILES notation for trisodium;4-amino-3-[[4-[[4-amino-6-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]cyclohexa-1,4-dien-1-yl]diazenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate?

The canonical SMILES for trisodium;4-amino-3-[[4-[[4-amino-6-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]cyclohexa-1,4-dien-1-yl]diazenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate is NC1=CC(=O)C(/N=N/c2ccc(/N=N/c3c(S(=O)(=O)[O-])cc4c(c3N)C(=O)C(=NNc3ccccc3)C(S(=O)(=O)[O-])=C4)cc2)=CC1=NNc1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+].

What is the InChIKey of trisodium;4-amino-3-[[4-[[4-amino-6-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]cyclohexa-1,4-dien-1-yl]diazenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate?

The InChIKey is OAFBYUHORHHEGZ-HGTDXZLJSA-K. The full InChI is InChI=1S/C34H26N10O11S3.3Na/c35-24-16-27(45)26(17-25(24)41-37-22-10-12-23(13-11-22)56(47,48)49)42-38-20-6-8-21(9-7-20)40-43-32-28(57(50,51)52)14-18-15-29(58(53,54)55)33(34(46)30(18)31(32)36)44-39-19-4-2-1-3-5-19;;;/h1-17,37,39H,35-36H2,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/b41-25?,42-38+,43-40+,44-33?;;;.

What are the key properties of trisodium;4-amino-3-[[4-[[4-amino-6-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]cyclohexa-1,4-dien-1-yl]diazenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate?

trisodium;4-amino-3-[[4-[[4-amino-6-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]cyclohexa-1,4-dien-1-yl]diazenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate has a molecular weight of 912.79 g/mol, XLogP of -5.08, 11 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for trisodium;4-amino-3-[[4-[[4-amino-6-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]cyclohexa-1,4-dien-1-yl]diazenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate is sourced from PubChem (CID 57354487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).