8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid

C40H27N7O14S4 — CID 162697049

IUPAC8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
SMILESNc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc5cccc(S(=O)(=O)O)c5c4)c4c(O)cc(S(=O)(=O)O)cc34)c3ccc(S(=O)(=O)O)cc23)c2c(O)cc(S(=O)(=O)O)cc12
InChIInChI=1S/C40H27N7O14S4/c41-30-8-9-34(39-28(30)16-23(18-36(39)48)63(53,54)55)47-44-32-11-10-31(25-7-6-22(15-27(25)32)62(50,51)52)43-45-33-12-13-35(40-29(33)17-24(19-37(40)49)64(56,57)58)46-42-21-5-4-20-2-1-3-38(26(20)14-21)65(59,60)61/h1-19,48-49H,41H2,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)/b45-43+,46-42+,47-44+
InChIKeyBAYSGZAQIABKEY-TYIPUPOTSA-N
MW957.96 g/mol
LogP9.53
Rot. Bonds10

About 8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid

8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid (PubChem CID 162697049) has the molecular formula C40H27N7O14S4 and a molecular weight of 957.96 g/mol. Its IUPAC name is 8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
PubChem CID162697049
Molecular FormulaC40H27N7O14S4
Molecular Weight957.96 g/mol
Exact Mass957.05
IUPAC Name8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
SMILESNc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc5cccc(S(=O)(=O)O)c5c4)c4c(O)cc(S(=O)(=O)O)cc34)c3ccc(S(=O)(=O)O)cc23)c2c(O)cc(S(=O)(=O)O)cc12
InChIInChI=1S/C40H27N7O14S4/c41-30-8-9-34(39-28(30)16-23(18-36(39)48)63(53,54)55)47-44-32-11-10-31(25-7-6-22(15-27(25)32)62(50,51)52)43-45-33-12-13-35(40-29(33)17-24(19-37(40)49)64(56,57)58)46-42-21-5-4-20-2-1-3-38(26(20)14-21)65(59,60)61/h1-19,48-49H,41H2,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)/b45-43+,46-42+,47-44+
InChIKeyBAYSGZAQIABKEY-TYIPUPOTSA-N
XLogP9.53
TPSA358.12 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500957.96
LogP ≤ 59.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

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'}

Analyze 8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid with MolForge

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Related Compounds

8-amino-4-hydroxy-5-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid;sulfur trioxide
CID 163748081
5-amino-8-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
CID 88888450
5-amino-8-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87411050
CID 170845569
CID 170845569
8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87409528
5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135665142
5-amino-8-[[4-[(Z)-2-[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid
CID 125125346
sodium 8-amino-5-[[4-[(E)-2-[4-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid
CID 54599676
5-[(4-amino-7-methylsulfonylnaphthalen-1-yl)diazenyl]-8-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 88888496
4-[[4-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]benzoic acid
CID 170961674
1,5-dihydroxy-4-[[4-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2,6-disulfonic acid
CID 166935823
[3-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]phenyl]-oxido-oxophosphanium
CID 139649873

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid (CID 162697049) is 8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid is Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc5cccc(S(=O)(=O)O)c5c4)c4c(O)cc(S(=O)(=O)O)cc34)c3ccc(S(=O)(=O)O)cc23)c2c(O)cc(S(=O)(=O)O)cc12.
What is the InChIKey of 8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is BAYSGZAQIABKEY-TYIPUPOTSA-N. The full InChI is InChI=1S/C40H27N7O14S4/c41-30-8-9-34(39-28(30)16-23(18-36(39)48)63(53,54)55)47-44-32-11-10-31(25-7-6-22(15-27(25)32)62(50,51)52)43-45-33-12-13-35(40-29(33)17-24(19-37(40)49)64(56,57)58)46-42-21-5-4-20-2-1-3-38(26(20)14-21)65(59,60)61/h1-19,48-49H,41H2,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)/b45-43+,46-42+,47-44+.
What are the key properties of 8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid?
8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 957.96 g/mol, XLogP of 9.53, 10 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 162697049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).