6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate

C25H22N5O5S- — CID 135920985

IUPAC6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate
SMILESCCCOc1cc(/N=N/c2ccccc2)ccc1/N=N/c1c(S(=O)(=O)[O-])cc2ccc(N)cc2c1O
InChIInChI=1S/C25H23N5O5S/c1-2-12-35-22-15-19(28-27-18-6-4-3-5-7-18)10-11-21(22)29-30-24-23(36(32,33)34)13-16-8-9-17(26)14-20(16)25(24)31/h3-11,13-15,31H,2,12,26H2,1H3,(H,32,33,34)/p-1/b28-27+,30-29+
InChIKeyDPOVPFFSXNZGFR-XOXGWFOHSA-M
MW504.55 g/mol
LogP6.65
Rot. Bonds8

About 6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate

6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate (PubChem CID 135920985) has the molecular formula C25H22N5O5S- and a molecular weight of 504.55 g/mol. Its IUPAC name is 6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate.

Molecular Properties

Compound Name6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate
PubChem CID135920985
Molecular FormulaC25H22N5O5S-
Molecular Weight504.55 g/mol
Exact Mass504.13
IUPAC Name6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate
SMILESCCCOc1cc(/N=N/c2ccccc2)ccc1/N=N/c1c(S(=O)(=O)[O-])cc2ccc(N)cc2c1O
InChIInChI=1S/C25H23N5O5S/c1-2-12-35-22-15-19(28-27-18-6-4-3-5-7-18)10-11-21(22)29-30-24-23(36(32,33)34)13-16-8-9-17(26)14-20(16)25(24)31/h3-11,13-15,31H,2,12,26H2,1H3,(H,32,33,34)/p-1/b28-27+,30-29+
InChIKeyDPOVPFFSXNZGFR-XOXGWFOHSA-M
XLogP6.65
TPSA162.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.55
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

sodium 6-amino-4-hydroxy-3-[(2-methoxy-4-phenyldiazenylphenyl)diazenyl]naphthalene-2-sulfonate
CID 135666524
6-amino-3-[[4-[4-[(7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-propoxyphenyl]-2-propoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 135921024
trisodium;6-amino-4-hydroxy-3-[[4-[(4-phenyldiazenyl-6-sulfonatonaphthalen-1-yl)diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonate
CID 135565092
sodium 6-amino-3-[[4-[4-[(7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-ethoxyphenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 135421948
sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate
CID 135570888
6-amino-4-hydroxy-3-[[4-[(4-phenyldiazenyl-6-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 4189029
4-amino-3-[[2-butoxy-4-[3-butoxy-4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136734413
disodium;6-amino-4-hydroxy-3-[(8-hydroxy-6-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate
CID 165363630
disodium;4-[[4-[(7-amino-1-oxido-3-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]diazenyl]benzenesulfonate
CID 101393672
6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136917429
7-amino-2-[(7-methyl-4-phenyldiazenylnaphthalen-1-yl)diazenyl]-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol
CID 135968686
sodium 6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[4-[[7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-2-sulfonatoanilino]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
CID 137099563

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate?
The IUPAC name of 6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate (CID 135920985) is 6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate.
What is the SMILES notation for 6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate?
The canonical SMILES for 6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate is CCCOc1cc(/N=N/c2ccccc2)ccc1/N=N/c1c(S(=O)(=O)[O-])cc2ccc(N)cc2c1O.
What is the InChIKey of 6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate?
The InChIKey is DPOVPFFSXNZGFR-XOXGWFOHSA-M. The full InChI is InChI=1S/C25H23N5O5S/c1-2-12-35-22-15-19(28-27-18-6-4-3-5-7-18)10-11-21(22)29-30-24-23(36(32,33)34)13-16-8-9-17(26)14-20(16)25(24)31/h3-11,13-15,31H,2,12,26H2,1H3,(H,32,33,34)/p-1/b28-27+,30-29+.
What are the key properties of 6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate?
6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate has a molecular weight of 504.55 g/mol, XLogP of 6.65, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-hydroxy-3-[(4-phenyldiazenyl-2-propoxyphenyl)diazenyl]naphthalene-2-sulfonate is sourced from PubChem (CID 135920985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).