disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide

C38H26CrN7Na2O12S+4 — CID 156599340

About disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide

disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide (PubChem CID 156599340) has the molecular formula C38H26CrN7Na2O12S+4 and a molecular weight of 902.71 g/mol. Its IUPAC name is disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide.

Molecular Properties

• Compound Name: disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide
• PubChem CID: 156599340
• Molecular Formula: C38H26CrN7Na2O12S+4
• Molecular Weight: 902.71 g/mol
• Exact Mass: 902.05
• IUPAC Name: disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide
• SMILES: CC(=O)Nc1cccc2ccc(O)c(/N=N/c3cc([N+](=O)[O-])ccc3O)c12.O=[N+]([O-])c1ccc2c(/N=N/c3c(O)ccc4ccccc34)c(O)cc(S(=O)(=O)[O-])c2c1.[Cr+3].[Na+].[Na+]
• InChI: InChI=1S/C20H13N3O7S.C18H14N4O5.Cr.2Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;1-10(23)19-13-4-2-3-11-5-7-16(25)18(17(11)13)21-20-14-9-12(22(26)27)6-8-15(14)24;;;/h1-10,24-25H,(H,28,29,30);2-9,24-25H,1H3,(H,19,23);;;/q;;+3;2*+1/p-1/b22-21+;21-20+
• InChIKey: ORWPRXYAGCCPDJ-UFJXXHLNSA-M
• XLogP: 3.17
• TPSA: 302.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	902.71
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide?

The IUPAC name of disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide (CID 156599340) is disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide.

What is the SMILES notation for disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide?

The canonical SMILES for disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide is CC(=O)Nc1cccc2ccc(O)c(/N=N/c3cc([N+](=O)[O-])ccc3O)c12.O=[N+]([O-])c1ccc2c(/N=N/c3c(O)ccc4ccccc34)c(O)cc(S(=O)(=O)[O-])c2c1.[Cr+3].[Na+].[Na+].

What is the InChIKey of disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide?

The InChIKey is ORWPRXYAGCCPDJ-UFJXXHLNSA-M. The full InChI is InChI=1S/C20H13N3O7S.C18H14N4O5.Cr.2Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;1-10(23)19-13-4-2-3-11-5-7-16(25)18(17(11)13)21-20-14-9-12(22(26)27)6-8-15(14)24;;;/h1-10,24-25H,(H,28,29,30);2-9,24-25H,1H3,(H,19,23);;;/q;;+3;2*+1/p-1/b22-21+;21-20+;;;.

What are the key properties of disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide?

disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide has a molecular weight of 902.71 g/mol, XLogP of 3.17, 8 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide is sourced from PubChem (CID 156599340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).