2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline

C26H16Cl4N2S2 — CID 10303161

IUPAC2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline
SMILESClc1ccc(Cl)c(SCc2nc3cc4ccccc4cc3nc2CSc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C26H16Cl4N2S2/c27-17-5-7-19(29)25(11-17)33-13-23-24(14-34-26-12-18(28)6-8-20(26)30)32-22-10-16-4-2-1-3-15(16)9-21(22)31-23/h1-12H,13-14H2
InChIKeyQNPLAGAHHACHIX-UHFFFAOYSA-N
MW562.37 g/mol
LogP9.98
Rot. Bonds6

About 2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline

2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline (PubChem CID 10303161) has the molecular formula C26H16Cl4N2S2 and a molecular weight of 562.37 g/mol. Its IUPAC name is 2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline.

Molecular Properties

Compound Name2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline
PubChem CID10303161
Molecular FormulaC26H16Cl4N2S2
Molecular Weight562.37 g/mol
Exact Mass559.95
IUPAC Name2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline
SMILESClc1ccc(Cl)c(SCc2nc3cc4ccccc4cc3nc2CSc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C26H16Cl4N2S2/c27-17-5-7-19(29)25(11-17)33-13-23-24(14-34-26-12-18(28)6-8-20(26)30)32-22-10-16-4-2-1-3-15(16)9-21(22)31-23/h1-12H,13-14H2
InChIKeyQNPLAGAHHACHIX-UHFFFAOYSA-N
XLogP9.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.37
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline?
The IUPAC name of 2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline (CID 10303161) is 2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline.
What is the SMILES notation for 2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline?
The canonical SMILES for 2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline is Clc1ccc(Cl)c(SCc2nc3cc4ccccc4cc3nc2CSc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline?
The InChIKey is QNPLAGAHHACHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl4N2S2/c27-17-5-7-19(29)25(11-17)33-13-23-24(14-34-26-12-18(28)6-8-20(26)30)32-22-10-16-4-2-1-3-15(16)9-21(22)31-23/h1-12H,13-14H2.
What are the key properties of 2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline?
2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline has a molecular weight of 562.37 g/mol, XLogP of 9.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(2,5-dichlorophenyl)sulfanylmethyl]benzo[g]quinoxaline is sourced from PubChem (CID 10303161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).