4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid

C28H23N7O7S2 — CID 136714800

IUPAC4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
SMILESNc1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)cc(O)c5c4N)cc3)cc2)c(N)c1
InChIInChI=1S/C28H23N7O7S2/c29-18-5-10-23(22(30)13-18)34-32-19-6-1-15(2-7-19)16-3-8-20(9-4-16)33-35-28-25(44(40,41)42)12-17-11-21(43(37,38)39)14-24(36)26(17)27(28)31/h1-14,36H,29-31H2,(H,37,38,39)(H,40,41,42)/b34-32+,35-33+
InChIKeyGCNIJCDLBAEWSZ-XUXOKTBYSA-N
MW633.67 g/mol
LogP6.28
Rot. Bonds7

About 4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid

4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid (PubChem CID 136714800) has the molecular formula C28H23N7O7S2 and a molecular weight of 633.67 g/mol. Its IUPAC name is 4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid.

Molecular Properties

Compound Name4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
PubChem CID136714800
Molecular FormulaC28H23N7O7S2
Molecular Weight633.67 g/mol
Exact Mass633.11
IUPAC Name4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
SMILESNc1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)cc(O)c5c4N)cc3)cc2)c(N)c1
InChIInChI=1S/C28H23N7O7S2/c29-18-5-10-23(22(30)13-18)34-32-19-6-1-15(2-7-19)16-3-8-20(9-4-16)33-35-28-25(44(40,41)42)12-17-11-21(43(37,38)39)14-24(36)26(17)27(28)31/h1-14,36H,29-31H2,(H,37,38,39)(H,40,41,42)/b34-32+,35-33+
InChIKeyGCNIJCDLBAEWSZ-XUXOKTBYSA-N
XLogP6.28
TPSA256.47 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500633.67
LogP ≤ 56.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-[(4-aminophenyl)diazenyl]-6-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 148671111
5-amino-3-[(4-aminophenyl)diazenyl]-6-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 147506897
CID 170854187
CID 170854187
4-amino-3-[[4-[(4-amino-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-6-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 135853970
CID 170844336
CID 170844336
6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136917429
disodium;4-amino-6-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-oxido-7-sulfonaphthalene-2-sulfonate
CID 102269739
4-amino-3,6-bis[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 135437239
CID 173140388
CID 173140388
CID 137218003
CID 137218003
CID 137221871
CID 137221871
CID 156592425
CID 156592425

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid?
The IUPAC name of 4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid (CID 136714800) is 4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid.
What is the SMILES notation for 4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid?
The canonical SMILES for 4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid is Nc1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)cc(O)c5c4N)cc3)cc2)c(N)c1.
What is the InChIKey of 4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid?
The InChIKey is GCNIJCDLBAEWSZ-XUXOKTBYSA-N. The full InChI is InChI=1S/C28H23N7O7S2/c29-18-5-10-23(22(30)13-18)34-32-19-6-1-15(2-7-19)16-3-8-20(9-4-16)33-35-28-25(44(40,41)42)12-17-11-21(43(37,38)39)14-24(36)26(17)27(28)31/h1-14,36H,29-31H2,(H,37,38,39)(H,40,41,42)/b34-32+,35-33+.
What are the key properties of 4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid?
4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid has a molecular weight of 633.67 g/mol, XLogP of 6.28, 7 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid is sourced from PubChem (CID 136714800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).