3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide

C24H24NOP — CID 118536875

IUPAC3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide
SMILESCCC1=C(CC)N(c2ccccc2)P(=O)(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H24NOP/c1-3-21-22-17-11-12-18-24(22)27(26,20-15-9-6-10-16-20)25(23(21)4-2)19-13-7-5-8-14-19/h5-18H,3-4H2,1-2H3
InChIKeyORLVVYCWQOSVRW-UHFFFAOYSA-N
MW373.44 g/mol
LogP5.97
Rot. Bonds4

About 3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide

3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide (PubChem CID 118536875) has the molecular formula C24H24NOP and a molecular weight of 373.44 g/mol. Its IUPAC name is 3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide.

Molecular Properties

Compound Name3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide
PubChem CID118536875
Molecular FormulaC24H24NOP
Molecular Weight373.44 g/mol
Exact Mass373.16
IUPAC Name3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide
SMILESCCC1=C(CC)N(c2ccccc2)P(=O)(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H24NOP/c1-3-21-22-17-11-12-18-24(22)27(26,20-15-9-6-10-16-20)25(23(21)4-2)19-13-7-5-8-14-19/h5-18H,3-4H2,1-2H3
InChIKeyORLVVYCWQOSVRW-UHFFFAOYSA-N
XLogP5.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.44
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide?
The IUPAC name of 3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide (CID 118536875) is 3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide.
What is the SMILES notation for 3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide?
The canonical SMILES for 3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide is CCC1=C(CC)N(c2ccccc2)P(=O)(c2ccccc2)c2ccccc21.
What is the InChIKey of 3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide?
The InChIKey is ORLVVYCWQOSVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24NOP/c1-3-21-22-17-11-12-18-24(22)27(26,20-15-9-6-10-16-20)25(23(21)4-2)19-13-7-5-8-14-19/h5-18H,3-4H2,1-2H3.
What are the key properties of 3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide?
3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide has a molecular weight of 373.44 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide is sourced from PubChem (CID 118536875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).