5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid

C52H38N10O18S6 — CID 100952538

IUPAC5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N/c3ccc(/C=C/c4ccc(/N=N/c5ccc(/C=C/c6ccc(/N=N/c7ccc(/N=N/c8ccc(S(=O)(=O)O)cc8)cc7)cc6S(=O)(=O)O)c(S(=O)(=O)O)c5)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)cc2)cc1
InChIInChI=1S/C52H38N10O18S6/c63-81(64,65)47-25-21-41(22-26-47)55-53-37-13-17-39(18-14-37)57-59-43-9-5-33(49(29-43)83(69,70)71)1-3-35-7-11-45(31-51(35)85(75,76)77)61-62-46-12-8-36(52(32-46)86(78,79)80)4-2-34-6-10-44(30-50(34)84(72,73)74)60-58-40-19-15-38(16-20-40)54-56-42-23-27-48(28-24-42)82(66,67)68/h1-32H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b3-1+,4-2+,55-53+,56-54+,59-57+,60-58+,62-61+
InChIKeyAIIKQVJHUZPTLC-DVNJCEOYSA-N
MW1283.33 g/mol
LogP13.58
Rot. Bonds20

About 5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid

5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid (PubChem CID 100952538) has the molecular formula C52H38N10O18S6 and a molecular weight of 1283.33 g/mol. Its IUPAC name is 5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid.

Molecular Properties

Compound Name5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid
PubChem CID100952538
Molecular FormulaC52H38N10O18S6
Molecular Weight1283.33 g/mol
Exact Mass1282.07
IUPAC Name5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N/c3ccc(/C=C/c4ccc(/N=N/c5ccc(/C=C/c6ccc(/N=N/c7ccc(/N=N/c8ccc(S(=O)(=O)O)cc8)cc7)cc6S(=O)(=O)O)c(S(=O)(=O)O)c5)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)cc2)cc1
InChIInChI=1S/C52H38N10O18S6/c63-81(64,65)47-25-21-41(22-26-47)55-53-37-13-17-39(18-14-37)57-59-43-9-5-33(49(29-43)83(69,70)71)1-3-35-7-11-45(31-51(35)85(75,76)77)61-62-46-12-8-36(52(32-46)86(78,79)80)4-2-34-6-10-44(30-50(34)84(72,73)74)60-58-40-19-15-38(16-20-40)54-56-42-23-27-48(28-24-42)82(66,67)68/h1-32H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b3-1+,4-2+,55-53+,56-54+,59-57+,60-58+,62-61+
InChIKeyAIIKQVJHUZPTLC-DVNJCEOYSA-N
XLogP13.58
TPSA449.82 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001283.33
LogP ≤ 513.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid with MolForge

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Related Compounds

sodium 5-[(2-hydroxy-5-sulfophenyl)diazenyl]-2-[(E)-2-[4-[(2-hydroxy-5-sulfophenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 135499455
CID 131884354
CID 131884354
6-hydroxy-5-[[4-[(E)-2-[4-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid
CID 135484801
6-hydroxy-5-[[4-[(Z)-2-[4-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid
CID 135499323
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
hexasodium;5-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfonato-4-[[3-sulfonato-4-[(E)-2-[2-sulfonato-4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonate
CID 100952539
5-amino-8-[[4-[(E)-2-[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 10010342
5-[(2,4-dihydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(2,4-dihydroxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 135422240
5-[[4-[[4-(2-hydroxyethylimino)-6-(4-sulfoanilino)-1H-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-2-[(E)-2-[4-[[4-[[4-(2-hydroxyethylimino)-6-(4-sulfoanilino)-1H-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 170839168
disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 517203
4-[[4-[[4-[(Z)-2-[4-[[4-[(4-carboxyphenyl)diazenyl]phenyl]diazenyl]-2-sulfophenyl]ethenyl]-3-hydroxysulfanyloxyphenyl]diazenyl]phenyl]diazenyl]benzoic acid
CID 173472186

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid?
The IUPAC name of 5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid (CID 100952538) is 5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid.
What is the SMILES notation for 5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid?
The canonical SMILES for 5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid is O=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N/c3ccc(/C=C/c4ccc(/N=N/c5ccc(/C=C/c6ccc(/N=N/c7ccc(/N=N/c8ccc(S(=O)(=O)O)cc8)cc7)cc6S(=O)(=O)O)c(S(=O)(=O)O)c5)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)cc2)cc1.
What is the InChIKey of 5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid?
The InChIKey is AIIKQVJHUZPTLC-DVNJCEOYSA-N. The full InChI is InChI=1S/C52H38N10O18S6/c63-81(64,65)47-25-21-41(22-26-47)55-53-37-13-17-39(18-14-37)57-59-43-9-5-33(49(29-43)83(69,70)71)1-3-35-7-11-45(31-51(35)85(75,76)77)61-62-46-12-8-36(52(32-46)86(78,79)80)4-2-34-6-10-44(30-50(34)84(72,73)74)60-58-40-19-15-38(16-20-40)54-56-42-23-27-48(28-24-42)82(66,67)68/h1-32H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b3-1+,4-2+,55-53+,56-54+,59-57+,60-58+,62-61+.
What are the key properties of 5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid?
5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid has a molecular weight of 1283.33 g/mol, XLogP of 13.58, 20 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid is sourced from PubChem (CID 100952538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).