2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine

C32H32N2O2P2 — CID 102245840

IUPAC2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine
SMILESCCC1=NC(P(=O)(c2ccccc2)c2ccccc2)C(CC)=NC1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N2O2P2/c1-3-29-31(37(35,25-17-9-5-10-18-25)26-19-11-6-12-20-26)34-30(4-2)32(33-29)38(36,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,31-32H,3-4H2,1-2H3
InChIKeyBZWRWUWTPZDASA-UHFFFAOYSA-N
MW538.57 g/mol
LogP6.38
Rot. Bonds8

About 2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine

2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine (PubChem CID 102245840) has the molecular formula C32H32N2O2P2 and a molecular weight of 538.57 g/mol. Its IUPAC name is 2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine.

Molecular Properties

Compound Name2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine
PubChem CID102245840
Molecular FormulaC32H32N2O2P2
Molecular Weight538.57 g/mol
Exact Mass538.19
IUPAC Name2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine
SMILESCCC1=NC(P(=O)(c2ccccc2)c2ccccc2)C(CC)=NC1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N2O2P2/c1-3-29-31(37(35,25-17-9-5-10-18-25)26-19-11-6-12-20-26)34-30(4-2)32(33-29)38(36,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,31-32H,3-4H2,1-2H3
InChIKeyBZWRWUWTPZDASA-UHFFFAOYSA-N
XLogP6.38
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.57
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphoryl-3-phenyl-2H-azirine
CID 86208256
(1S,2S,3S,4S)-2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane
CID 6595843
[ethyl(fluoro)phosphoryl]benzene
CID 23415746
1-(diphenylphosphorylmethyl)-4-ethylbenzene
CID 160537726
(4-ethylphenyl)-phenylphosphinic acid
CID 141028153
ethyl-ethylsulfanyl-phenyl-selanylidene-λ5-phosphane
CID 23415888
2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine
CID 102245838
dipropoxyphosphorylbenzene
CID 11736632
1,3-bis[ethyl(phenyl)phosphoryl]benzene
CID 59816903
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane
CID 12864161

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine?
The IUPAC name of 2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine (CID 102245840) is 2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine.
What is the SMILES notation for 2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine?
The canonical SMILES for 2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine is CCC1=NC(P(=O)(c2ccccc2)c2ccccc2)C(CC)=NC1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine?
The InChIKey is BZWRWUWTPZDASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O2P2/c1-3-29-31(37(35,25-17-9-5-10-18-25)26-19-11-6-12-20-26)34-30(4-2)32(33-29)38(36,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,31-32H,3-4H2,1-2H3.
What are the key properties of 2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine?
2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine has a molecular weight of 538.57 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(diphenylphosphoryl)-3,6-diethyl-2,5-dihydropyrazine is sourced from PubChem (CID 102245840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).