2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole

C39H31N2OP — CID 134590299

IUPAC2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole
SMILESCCn1c(-c2c(P(=O)(c3ccccc3)c3ccccc3)ccc3ccccc23)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C39H31N2OP/c1-2-41-38(31-20-9-4-10-21-31)37(30-18-7-3-8-19-30)40-39(41)36-34-26-16-15-17-29(34)27-28-35(36)43(42,32-22-11-5-12-23-32)33-24-13-6-14-25-33/h3-28H,2H2,1H3
InChIKeyJAEAVHLVVGBWSY-UHFFFAOYSA-N
MW574.66 g/mol
LogP8.70
Rot. Bonds7

About 2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole

2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole (PubChem CID 134590299) has the molecular formula C39H31N2OP and a molecular weight of 574.66 g/mol. Its IUPAC name is 2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole
PubChem CID134590299
Molecular FormulaC39H31N2OP
Molecular Weight574.66 g/mol
Exact Mass574.22
IUPAC Name2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole
SMILESCCn1c(-c2c(P(=O)(c3ccccc3)c3ccccc3)ccc3ccccc23)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C39H31N2OP/c1-2-41-38(31-20-9-4-10-21-31)37(30-18-7-3-8-19-30)40-39(41)36-34-26-16-15-17-29(34)27-28-35(36)43(42,32-22-11-5-12-23-32)33-24-13-6-14-25-33/h3-28H,2H2,1H3
InChIKeyJAEAVHLVVGBWSY-UHFFFAOYSA-N
XLogP8.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.66
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole?
The IUPAC name of 2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole (CID 134590299) is 2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole.
What is the SMILES notation for 2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole?
The canonical SMILES for 2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole is CCn1c(-c2c(P(=O)(c3ccccc3)c3ccccc3)ccc3ccccc23)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole?
The InChIKey is JAEAVHLVVGBWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N2OP/c1-2-41-38(31-20-9-4-10-21-31)37(30-18-7-3-8-19-30)40-39(41)36-34-26-16-15-17-29(34)27-28-35(36)43(42,32-22-11-5-12-23-32)33-24-13-6-14-25-33/h3-28H,2H2,1H3.
What are the key properties of 2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole?
2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole has a molecular weight of 574.66 g/mol, XLogP of 8.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole is sourced from PubChem (CID 134590299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).