5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum

C22H16MoN5O3S- — CID 136606587

IUPAC5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum
SMILESNc1c(/N=N/c2ccccc2)ccc2cc(S(=O)[O-])c(/N=N/c3ccccc3)c(O)c12.[Mo]
InChIInChI=1S/C22H17N5O3S.Mo/c23-20-17(26-24-15-7-3-1-4-8-15)12-11-14-13-18(31(29)30)21(22(28)19(14)20)27-25-16-9-5-2-6-10-16;/h1-13,28H,23H2,(H,29,30);/p-1/b26-24+,27-25+;
InChIKeyGOIKBOYMJXYDKS-PQZHMVGGSA-M
MW526.41 g/mol
LogP6.19
Rot. Bonds5

About 5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum

5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum (PubChem CID 136606587) has the molecular formula C22H16MoN5O3S- and a molecular weight of 526.41 g/mol. Its IUPAC name is 5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum.

Molecular Properties

Compound Name5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum
PubChem CID136606587
Molecular FormulaC22H16MoN5O3S-
Molecular Weight526.41 g/mol
Exact Mass528.00
IUPAC Name5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum
SMILESNc1c(/N=N/c2ccccc2)ccc2cc(S(=O)[O-])c(/N=N/c3ccccc3)c(O)c12.[Mo]
InChIInChI=1S/C22H17N5O3S.Mo/c23-20-17(26-24-15-7-3-1-4-8-15)12-11-14-13-18(31(29)30)21(22(28)19(14)20)27-25-16-9-5-2-6-10-16;/h1-13,28H,23H2,(H,29,30);/p-1/b26-24+,27-25+;
InChIKeyGOIKBOYMJXYDKS-PQZHMVGGSA-M
XLogP6.19
TPSA135.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.41
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol
CID 135815835
5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid
CID 136634817
7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfinate
CID 136682914
5-amino-4-hydroxy-3-[(3-methylphenyl)diazenyl]-6-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137095404
8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol
CID 135733615
4-amino-5-hydroxy-3-(methyldiazenyl)-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 135854949
4-amino-5-hydroxy-6-[(3-methylphenyl)diazenyl]-3-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;sulfur trioxide
CID 137117806
4-amino-5-hydroxy-3-[(4-hydroxyphenyl)diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136934696
5-amino-4-hydroxy-3,6-bis[[4-(4,4,6,6-tetramethylheptylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 165053786
4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid
CID 136688709
4-amino-5-hydroxy-6-(methyldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid
CID 135854946
5-amino-4-hydroxy-3-[(3-methylphenyl)diazenyl]-6-[(4-prop-2-enylphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137095396

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum?
The IUPAC name of 5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum (CID 136606587) is 5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum.
What is the SMILES notation for 5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum?
The canonical SMILES for 5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum is Nc1c(/N=N/c2ccccc2)ccc2cc(S(=O)[O-])c(/N=N/c3ccccc3)c(O)c12.[Mo].
What is the InChIKey of 5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum?
The InChIKey is GOIKBOYMJXYDKS-PQZHMVGGSA-M. The full InChI is InChI=1S/C22H17N5O3S.Mo/c23-20-17(26-24-15-7-3-1-4-8-15)12-11-14-13-18(31(29)30)21(22(28)19(14)20)27-25-16-9-5-2-6-10-16;/h1-13,28H,23H2,(H,29,30);/p-1/b26-24+,27-25+;.
What are the key properties of 5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum?
5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum has a molecular weight of 526.41 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-3,6-bis(phenyldiazenyl)naphthalene-2-sulfinate;molybdenum is sourced from PubChem (CID 136606587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).