3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid

C50H45N5O18S6 — CID 162118407

IUPAC3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid
SMILESNc1cc2ccc(S(=O)(=O)O)cc2cc1S(=O)(=O)O.Nc1ccc2c(S(=O)(=O)O)cccc2c1.Nc1ccc2cc(S(=O)(=O)O)ccc2c1.Nc1ccc2ccc(S(=O)(=O)O)cc2c1.Nc1ccc2cccc(S(=O)(=O)O)c2c1
InChIInChI=1S/C10H9NO6S2.4C10H9NO3S/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;11-9-3-1-7-2-4-10(15(12,13)14)6-8(7)5-9;11-8-4-5-9-7(6-8)2-1-3-10(9)15(12,13)14;11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17);4*1-6H,11H2,(H,12,13,14)
InChIKeyZHBSYDBFOZLBFI-UHFFFAOYSA-N
MW1196.33 g/mol
LogP7.59
Rot. Bonds6

About 3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid

3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid (PubChem CID 162118407) has the molecular formula C50H45N5O18S6 and a molecular weight of 1196.33 g/mol. Its IUPAC name is 3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid
PubChem CID162118407
Molecular FormulaC50H45N5O18S6
Molecular Weight1196.33 g/mol
Exact Mass1195.11
IUPAC Name3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid
SMILESNc1cc2ccc(S(=O)(=O)O)cc2cc1S(=O)(=O)O.Nc1ccc2c(S(=O)(=O)O)cccc2c1.Nc1ccc2cc(S(=O)(=O)O)ccc2c1.Nc1ccc2ccc(S(=O)(=O)O)cc2c1.Nc1ccc2cccc(S(=O)(=O)O)c2c1
InChIInChI=1S/C10H9NO6S2.4C10H9NO3S/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;11-9-3-1-7-2-4-10(15(12,13)14)6-8(7)5-9;11-8-4-5-9-7(6-8)2-1-3-10(9)15(12,13)14;11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17);4*1-6H,11H2,(H,12,13,14)
InChIKeyZHBSYDBFOZLBFI-UHFFFAOYSA-N
XLogP7.59
TPSA456.32 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001196.33
LogP ≤ 57.59
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid with MolForge

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Related Compounds

2-aminonaphthalene-1,5-disulfonic acid;3-aminonaphthalene-2,7-disulfonic acid
CID 19890199
3,6-diaminonaphthalene-2-sulfonic acid
CID 87527347
1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE
CID 126960168
CID 87753732
CID 87753732
sodium;hydride;naphthalene-1,7-disulfonic acid
CID 173344395
naphthalene-2,3,6-trisulfonic acid
CID 42609669
6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide
CID 159250983
5-aminoanthracene-2-sulfonic acid
CID 154193795
7-aminonaphthalene-1,3-disulfonic acid;tetrahydrate
CID 76962518
sodium;6-amino-7-sulfonaphthalene-2-sulfonate;trihydrate
CID 45047073
magnesium;5-aminonaphthalene-2-sulfonic acid;hydride
CID 175063134
3,7-diaminonaphthalene-1-sulfonic acid
CID 18431403

Frequently Asked Questions

What is the IUPAC name of 3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid?
The IUPAC name of 3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid (CID 162118407) is 3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid.
What is the SMILES notation for 3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid?
The canonical SMILES for 3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid is Nc1cc2ccc(S(=O)(=O)O)cc2cc1S(=O)(=O)O.Nc1ccc2c(S(=O)(=O)O)cccc2c1.Nc1ccc2cc(S(=O)(=O)O)ccc2c1.Nc1ccc2ccc(S(=O)(=O)O)cc2c1.Nc1ccc2cccc(S(=O)(=O)O)c2c1.
What is the InChIKey of 3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid?
The InChIKey is ZHBSYDBFOZLBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO6S2.4C10H9NO3S/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;11-9-3-1-7-2-4-10(15(12,13)14)6-8(7)5-9;11-8-4-5-9-7(6-8)2-1-3-10(9)15(12,13)14;11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17);4*1-6H,11H2,(H,12,13,14).
What are the key properties of 3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid?
3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid has a molecular weight of 1196.33 g/mol, XLogP of 7.59, 6 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid is sourced from PubChem (CID 162118407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).