2-(phenazin-2-yldisulfanyl)phenazine

C24H14N4S2 — CID 101069148

IUPAC2-(phenazin-2-yldisulfanyl)phenazine
SMILESc1ccc2nc3cc(SSc4ccc5nc6ccccc6nc5c4)ccc3nc2c1
InChIInChI=1S/C24H14N4S2/c1-3-7-19-17(5-1)25-21-11-9-15(13-23(21)27-19)29-30-16-10-12-22-24(14-16)28-20-8-4-2-6-18(20)26-22/h1-14H
InChIKeyRKCXVIHATNMTCS-UHFFFAOYSA-N
MW422.54 g/mol
LogP6.68
Rot. Bonds3

About 2-(phenazin-2-yldisulfanyl)phenazine

2-(phenazin-2-yldisulfanyl)phenazine (PubChem CID 101069148) has the molecular formula C24H14N4S2 and a molecular weight of 422.54 g/mol. Its IUPAC name is 2-(phenazin-2-yldisulfanyl)phenazine.

Molecular Properties

Compound Name2-(phenazin-2-yldisulfanyl)phenazine
PubChem CID101069148
Molecular FormulaC24H14N4S2
Molecular Weight422.54 g/mol
Exact Mass422.07
IUPAC Name2-(phenazin-2-yldisulfanyl)phenazine
SMILESc1ccc2nc3cc(SSc4ccc5nc6ccccc6nc5c4)ccc3nc2c1
InChIInChI=1S/C24H14N4S2/c1-3-7-19-17(5-1)25-21-11-9-15(13-23(21)27-19)29-30-16-10-12-22-24(14-16)28-20-8-4-2-6-18(20)26-22/h1-14H
InChIKeyRKCXVIHATNMTCS-UHFFFAOYSA-N
XLogP6.68
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.54
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(phenazin-2-yldisulfanyl)phenazine?
The IUPAC name of 2-(phenazin-2-yldisulfanyl)phenazine (CID 101069148) is 2-(phenazin-2-yldisulfanyl)phenazine.
What is the SMILES notation for 2-(phenazin-2-yldisulfanyl)phenazine?
The canonical SMILES for 2-(phenazin-2-yldisulfanyl)phenazine is c1ccc2nc3cc(SSc4ccc5nc6ccccc6nc5c4)ccc3nc2c1.
What is the InChIKey of 2-(phenazin-2-yldisulfanyl)phenazine?
The InChIKey is RKCXVIHATNMTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4S2/c1-3-7-19-17(5-1)25-21-11-9-15(13-23(21)27-19)29-30-16-10-12-22-24(14-16)28-20-8-4-2-6-18(20)26-22/h1-14H.
What are the key properties of 2-(phenazin-2-yldisulfanyl)phenazine?
2-(phenazin-2-yldisulfanyl)phenazine has a molecular weight of 422.54 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenazin-2-yldisulfanyl)phenazine is sourced from PubChem (CID 101069148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).