4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide

C59H62I6N10O6S2 — CID 158582128

IUPAC4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide
SMILESCC.CC.CC.I.II.I[I-]I.N#[N+]c1ccc(-c2ccccc2)nc1.Nc1c(/N=N/c2ccc(-c3ccccc3)nc2)cc(S(=O)(=O)O)c2ccccc12.Nc1ccc(-c2ccccc2)nc1.Nc1ccc(S(=O)(=O)O)c2ccccc12
InChIInChI=1S/C21H16N4O3S.C11H8N3.C11H10N2.C10H9NO3S.3C2H6.I3.I2.HI/c22-21-17-9-5-4-8-16(17)20(29(26,27)28)12-19(21)25-24-15-10-11-18(23-13-15)14-6-2-1-3-7-14;12-14-10-6-7-11(13-8-10)9-4-2-1-3-5-9;12-10-6-7-11(13-8-10)9-4-2-1-3-5-9;11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;3*1-2;1-3-2;1-2;/h1-13H,22H2,(H,26,27,28);1-8H;1-8H,12H2;1-6H,11H2,(H,12,13,14);3*1-2H3;;;1H/q;+1;;;;;;-1;;/b25-24+;;;;;;;;;
InChIKeyZYVXBYNKGNDXTE-IPIPDZAWSA-N
MW1832.77 g/mol
LogP16.62
Rot. Bonds7

About 4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide

4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide (PubChem CID 158582128) has the molecular formula C59H62I6N10O6S2 and a molecular weight of 1832.77 g/mol. Its IUPAC name is 4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide.

Molecular Properties

Compound Name4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide
PubChem CID158582128
Molecular FormulaC59H62I6N10O6S2
Molecular Weight1832.77 g/mol
Exact Mass1831.86
IUPAC Name4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide
SMILESCC.CC.CC.I.II.I[I-]I.N#[N+]c1ccc(-c2ccccc2)nc1.Nc1c(/N=N/c2ccc(-c3ccccc3)nc2)cc(S(=O)(=O)O)c2ccccc12.Nc1ccc(-c2ccccc2)nc1.Nc1ccc(S(=O)(=O)O)c2ccccc12
InChIInChI=1S/C21H16N4O3S.C11H8N3.C11H10N2.C10H9NO3S.3C2H6.I3.I2.HI/c22-21-17-9-5-4-8-16(17)20(29(26,27)28)12-19(21)25-24-15-10-11-18(23-13-15)14-6-2-1-3-7-14;12-14-10-6-7-11(13-8-10)9-4-2-1-3-5-9;12-10-6-7-11(13-8-10)9-4-2-1-3-5-9;11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;3*1-2;1-3-2;1-2;/h1-13H,22H2,(H,26,27,28);1-8H;1-8H,12H2;1-6H,11H2,(H,12,13,14);3*1-2H3;;;1H/q;+1;;;;;;-1;;/b25-24+;;;;;;;;;
InChIKeyZYVXBYNKGNDXTE-IPIPDZAWSA-N
XLogP16.62
TPSA278.34 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001832.77
LogP ≤ 516.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-[[6-(3-methylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid
CID 56639940
4-amino-3-[[6-(3-formyl-5-methyl-4-propan-2-yloxyphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid
CID 158028622
4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 102244456
4-amino-3-[[4-[2-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]ethynyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 2750502
sodium 4-amino-3-[[6-(2-methylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonate
CID 56639857
3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 136714819
5-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxy-3-methylbenzoic acid
CID 136714793
4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]naphthalene-1-sulfonate
CID 139208471
4-aminonaphthalene-1-sulfonic acid
CID 6790
disodium;4-amino-3-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 139595340
4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium
CID 136707775
4-amino-3-[[4-[4-[[(E)-1-[2-(aminomethyl)phenyl]-1-sulfopent-1-en-3-yl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 142925572

Frequently Asked Questions

What is the IUPAC name of 4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide?
The IUPAC name of 4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide (CID 158582128) is 4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide.
What is the SMILES notation for 4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide?
The canonical SMILES for 4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide is CC.CC.CC.I.II.I[I-]I.N#[N+]c1ccc(-c2ccccc2)nc1.Nc1c(/N=N/c2ccc(-c3ccccc3)nc2)cc(S(=O)(=O)O)c2ccccc12.Nc1ccc(-c2ccccc2)nc1.Nc1ccc(S(=O)(=O)O)c2ccccc12.
What is the InChIKey of 4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide?
The InChIKey is ZYVXBYNKGNDXTE-IPIPDZAWSA-N. The full InChI is InChI=1S/C21H16N4O3S.C11H8N3.C11H10N2.C10H9NO3S.3C2H6.I3.I2.HI/c22-21-17-9-5-4-8-16(17)20(29(26,27)28)12-19(21)25-24-15-10-11-18(23-13-15)14-6-2-1-3-7-14;12-14-10-6-7-11(13-8-10)9-4-2-1-3-5-9;12-10-6-7-11(13-8-10)9-4-2-1-3-5-9;11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;3*1-2;1-3-2;1-2;/h1-13H,22H2,(H,26,27,28);1-8H;1-8H,12H2;1-6H,11H2,(H,12,13,14);3*1-2H3;;;1H/q;+1;;;;;;-1;;/b25-24+;;;;;;;;;.
What are the key properties of 4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide?
4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide has a molecular weight of 1832.77 g/mol, XLogP of 16.62, 7 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminonaphthalene-1-sulfonic acid;4-amino-3-[(6-phenyl-3-pyridinyl)diazenyl]naphthalene-1-sulfonic acid;ethane;molecular iodine;6-phenylpyridin-3-amine;6-phenylpyridine-3-diazonium;triiodide;hydroiodide is sourced from PubChem (CID 158582128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).