2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine

C24H32N2O6P2 — CID 102245838

IUPAC2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine
SMILESCCOP(=O)(OCC)C1N=C(c2ccccc2)C(P(=O)(OCC)OCC)N=C1c1ccccc1
InChIInChI=1S/C24H32N2O6P2/c1-5-29-33(27,30-6-2)23-21(19-15-11-9-12-16-19)26-24(34(28,31-7-3)32-8-4)22(25-23)20-17-13-10-14-18-20/h9-18,23-24H,5-8H2,1-4H3
InChIKeyUFPPZCADPMWGSB-UHFFFAOYSA-N
MW506.48 g/mol
LogP6.16
Rot. Bonds12

About 2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine

2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine (PubChem CID 102245838) has the molecular formula C24H32N2O6P2 and a molecular weight of 506.48 g/mol. Its IUPAC name is 2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine.

Molecular Properties

Compound Name2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine
PubChem CID102245838
Molecular FormulaC24H32N2O6P2
Molecular Weight506.48 g/mol
Exact Mass506.17
IUPAC Name2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine
SMILESCCOP(=O)(OCC)C1N=C(c2ccccc2)C(P(=O)(OCC)OCC)N=C1c1ccccc1
InChIInChI=1S/C24H32N2O6P2/c1-5-29-33(27,30-6-2)23-21(19-15-11-9-12-16-19)26-24(34(28,31-7-3)32-8-4)22(25-23)20-17-13-10-14-18-20/h9-18,23-24H,5-8H2,1-4H3
InChIKeyUFPPZCADPMWGSB-UHFFFAOYSA-N
XLogP6.16
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.48
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine?
The IUPAC name of 2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine (CID 102245838) is 2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine.
What is the SMILES notation for 2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine?
The canonical SMILES for 2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine is CCOP(=O)(OCC)C1N=C(c2ccccc2)C(P(=O)(OCC)OCC)N=C1c1ccccc1.
What is the InChIKey of 2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine?
The InChIKey is UFPPZCADPMWGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6P2/c1-5-29-33(27,30-6-2)23-21(19-15-11-9-12-16-19)26-24(34(28,31-7-3)32-8-4)22(25-23)20-17-13-10-14-18-20/h9-18,23-24H,5-8H2,1-4H3.
What are the key properties of 2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine?
2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine has a molecular weight of 506.48 g/mol, XLogP of 6.16, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine is sourced from PubChem (CID 102245838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).