5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate

C38H23N9O16S4-4 — CID 6848751

About 5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate

5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate (PubChem CID 6848751) has the molecular formula C38H23N9O16S4-4 and a molecular weight of 989.92 g/mol. Its IUPAC name is 5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate.

Molecular Properties

• Compound Name: 5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
• PubChem CID: 6848751
• Molecular Formula: C38H23N9O16S4-4
• Molecular Weight: 989.92 g/mol
• Exact Mass: 989.02
• IUPAC Name: 5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
• SMILES: Nc1ccc2c(c1/N=N/c1ccc([N+](=O)[O-])cc1S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc1ccc(-c3ccc(NN=C4C(=O)c5c(N)cc(S(=O)(=O)[O-])cc5C=C4S(=O)(=O)[O-])cc3)cc1)C2=O
• InChI: InChI=1S/C38H27N9O16S4/c39-27-11-10-25-26(34(27)44-43-29-12-9-23(47(50)51)15-30(29)65(55,56)57)17-32(67(61,62)63)35(37(25)48)45-41-21-5-1-18(2-6-21)19-3-7-22(8-4-19)42-46-36-31(66(58,59)60)14-20-13-24(64(52,53)54)16-28(40)33(20)38(36)49/h1-17,41-42H,39-40H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)/p-4/b44-43+,45-35?,46-36?
• InChIKey: RFKVANNTUAJTAW-FGAJJMNLSA-J
• XLogP: 3.75
• TPSA: 431.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	989.92
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate?

The IUPAC name of 5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate (CID 6848751) is 5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate.

What is the SMILES notation for 5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate?

The canonical SMILES for 5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate is Nc1ccc2c(c1/N=N/c1ccc([N+](=O)[O-])cc1S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C(=NNc1ccc(-c3ccc(NN=C4C(=O)c5c(N)cc(S(=O)(=O)[O-])cc5C=C4S(=O)(=O)[O-])cc3)cc1)C2=O.

What is the InChIKey of 5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate?

The InChIKey is RFKVANNTUAJTAW-FGAJJMNLSA-J. The full InChI is InChI=1S/C38H27N9O16S4/c39-27-11-10-25-26(34(27)44-43-29-12-9-23(47(50)51)15-30(29)65(55,56)57)17-32(67(61,62)63)35(37(25)48)45-41-21-5-1-18(2-6-21)19-3-7-22(8-4-19)42-46-36-31(66(58,59)60)14-20-13-24(64(52,53)54)16-28(40)33(20)38(36)49/h1-17,41-42H,39-40H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)/p-4/b44-43+,45-35?,46-36?.

What are the key properties of 5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate?

5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate has a molecular weight of 989.92 g/mol, XLogP of 3.75, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate is sourced from PubChem (CID 6848751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).