2,4-bis(dimethylamino)-1,3-bis(3-methylphenyl)-1,3,2$l^{5},4$l^{5}-diazadiphosphetidine-2,4-dione

• ChemBase ID: 83945
• Molecular Formular: C18H26N4O2P2
• Molecular Mass: 392.372162
• Monoisotopic Mass: 392.15309935
• SMILES: P1(=O)(N(c2cc(ccc2)C)P(=O)(N1c1cccc(c1)C)N(C)C)N(C)C
• Canonical SMILES: Cc1cccc(c1)N1P(=O)(N(C)C)N(P1(=O)N(C)C)c1cccc(c1)C
• InChI: InChI=1S/C18H26N4O2P2/c1-15-9-7-11-17(13-15)21-25(23,19(3)4)22(26(21,24)20(5)6)18-12-8-10-16(2)14-18/h7-14H,1-6H3
• InChIKey: RCSHPWPPXKMKIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-bis(dimethylamino)-1,3-bis(3-methylphenyl)-1,3,2$l^{5},4$l^{5}-diazadiphosphetidine-2,4-dione
• IUPAC Traditional name: 2,4-bis(dimethylamino)-1,3-bis(3-methylphenyl)-1,3,2$l^{5},4$l^{5}-diazadiphosphetidine-2,4-dione
• Synonyms: 2,4-di(dimethylamino)-1,3-di(3-methylphenyl)-1,3,2lambda~5~,4lambda~5~-diazadiphosphetane-2,4-dione

Database IDs

• MDL Number: MFCD00239225
• PubChem SID: 162071061
• PubChem CID: 633767

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.2331414
• LogD (pH = 7.4): 2.233146
• Log P: 2.233146
• Molar Refractivity: 107.734 cm^3
• Polarizability: 41.947395 Å^3
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true