5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate

C34H22N4O8S2-2 — CID 6814431

IUPAC5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SMILESO=C1C=Cc2ccccc2C1=NNc1ccc(C=Cc2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1
InChIInChI=1S/C34H24N4O8S2/c39-29-17-13-21-5-1-3-7-27(21)33(29)37-35-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)36-38-34-28-8-4-2-6-22(28)14-18-30(34)40/h1-20,35-36H,(H,41,42,43)(H,44,45,46)/p-2
InChIKeyPFZKMPKAXAKHKQ-UHFFFAOYSA-L
MW678.70 g/mol
LogP4.49
Rot. Bonds8

About 5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate

5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate (PubChem CID 6814431) has the molecular formula C34H22N4O8S2-2 and a molecular weight of 678.70 g/mol. Its IUPAC name is 5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate.

Molecular Properties

Compound Name5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
PubChem CID6814431
Molecular FormulaC34H22N4O8S2-2
Molecular Weight678.70 g/mol
Exact Mass678.09
IUPAC Name5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SMILESO=C1C=Cc2ccccc2C1=NNc1ccc(C=Cc2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1
InChIInChI=1S/C34H24N4O8S2/c39-29-17-13-21-5-1-3-7-27(21)33(29)37-35-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)36-38-34-28-8-4-2-6-22(28)14-18-30(34)40/h1-20,35-36H,(H,41,42,43)(H,44,45,46)/p-2
InChIKeyPFZKMPKAXAKHKQ-UHFFFAOYSA-L
XLogP4.49
TPSA197.32 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.70
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 6305577
5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfophenyl]benzenesulfonic acid
CID 6857887
CID 6330896
CID 6330896
4-methyl-2-[5-methyl-4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]-5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate
CID 6848303
disodium;3-methyl-5-[3-methyl-4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-5-sulfonatophenyl]-2-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate
CID 6508820
3-[[3-methyl-4-[2-methyl-4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
CID 6848418
disodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide)
CID 91666500
disodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 135570683
5-[(2Z)-2-(8-oxoquinolin-7-ylidene)hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-(8-oxoquinolin-7-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 16728316
disodium;5-(phenylcarbamoylamino)-2-[2-[4-(phenylcarbamoylamino)-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 78410879
5-[(4-aminobenzoyl)amino]-2-[2-[4-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 5163953
(6E)-6-[[4-[(E)-2-[4-[(2Z)-2-(2-carboxy-6-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazinylidene]-5-hydroxy-3-oxocyclohexa-1,4-diene-1-carboxylic acid
CID 6474414

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
The IUPAC name of 5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate (CID 6814431) is 5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
What is the SMILES notation for 5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
The canonical SMILES for 5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate is O=C1C=Cc2ccccc2C1=NNc1ccc(C=Cc2ccc(NN=C3C(=O)C=Cc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.
What is the InChIKey of 5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
The InChIKey is PFZKMPKAXAKHKQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C34H24N4O8S2/c39-29-17-13-21-5-1-3-7-27(21)33(29)37-35-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)36-38-34-28-8-4-2-6-22(28)14-18-30(34)40/h1-20,35-36H,(H,41,42,43)(H,44,45,46)/p-2.
What are the key properties of 5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate has a molecular weight of 678.70 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate is sourced from PubChem (CID 6814431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).