1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine

C18H20N2P2 — CID 13212320

IUPAC1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine
SMILESCCP1C(=Nc2ccccc2)P(CC)C1=Nc1ccccc1
InChIInChI=1S/C18H20N2P2/c1-3-21-17(19-15-11-7-5-8-12-15)22(4-2)18(21)20-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/b19-17-,20-18+
InChIKeyOLGKJSIWQNPCSD-YAFCTCPESA-N
MW326.32 g/mol
LogP6.38
Rot. Bonds4

About 1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine

1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine (PubChem CID 13212320) has the molecular formula C18H20N2P2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine.

Molecular Properties

Compound Name1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine
PubChem CID13212320
Molecular FormulaC18H20N2P2
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC Name1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine
SMILESCCP1C(=Nc2ccccc2)P(CC)C1=Nc1ccccc1
InChIInChI=1S/C18H20N2P2/c1-3-21-17(19-15-11-7-5-8-12-15)22(4-2)18(21)20-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/b19-17-,20-18+
InChIKeyOLGKJSIWQNPCSD-YAFCTCPESA-N
XLogP6.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine?
The IUPAC name of 1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine (CID 13212320) is 1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine.
What is the SMILES notation for 1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine?
The canonical SMILES for 1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine is CCP1C(=Nc2ccccc2)P(CC)C1=Nc1ccccc1.
What is the InChIKey of 1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine?
The InChIKey is OLGKJSIWQNPCSD-YAFCTCPESA-N. The full InChI is InChI=1S/C18H20N2P2/c1-3-21-17(19-15-11-7-5-8-12-15)22(4-2)18(21)20-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/b19-17-,20-18+.
What are the key properties of 1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine?
1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine has a molecular weight of 326.32 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-N,4-N-diphenyl-1,3-diphosphetane-2,4-diimine is sourced from PubChem (CID 13212320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).