2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide

C42H38NO2PS — CID 102236264

IUPAC2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide
SMILESCc1cc(C)c(S(=O)C(c2ccccc2)C(NC(=O)c2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C42H38NO2PS/c1-30-28-32(3)39(29-31(30)2)47(45)41(34-20-10-5-11-21-34)40(33-18-8-4-9-19-33)43-42(44)37-26-16-17-27-38(37)46(35-22-12-6-13-23-35)36-24-14-7-15-25-36/h4-29,40-41H,1-3H3,(H,43,44)
InChIKeyNHPIPYIEAGKWMV-UHFFFAOYSA-N
MW651.81 g/mol
LogP8.39
Rot. Bonds10

About 2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide

2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide (PubChem CID 102236264) has the molecular formula C42H38NO2PS and a molecular weight of 651.81 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide
PubChem CID102236264
Molecular FormulaC42H38NO2PS
Molecular Weight651.81 g/mol
Exact Mass651.24
IUPAC Name2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide
SMILESCc1cc(C)c(S(=O)C(c2ccccc2)C(NC(=O)c2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C42H38NO2PS/c1-30-28-32(3)39(29-31(30)2)47(45)41(34-20-10-5-11-21-34)40(33-18-8-4-9-19-33)43-42(44)37-26-16-17-27-38(37)46(35-22-12-6-13-23-35)36-24-14-7-15-25-36/h4-29,40-41H,1-3H3,(H,43,44)
InChIKeyNHPIPYIEAGKWMV-UHFFFAOYSA-N
XLogP8.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide?
The IUPAC name of 2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide (CID 102236264) is 2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide.
What is the SMILES notation for 2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide?
The canonical SMILES for 2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide is Cc1cc(C)c(S(=O)C(c2ccccc2)C(NC(=O)c2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of 2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide?
The InChIKey is NHPIPYIEAGKWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38NO2PS/c1-30-28-32(3)39(29-31(30)2)47(45)41(34-20-10-5-11-21-34)40(33-18-8-4-9-19-33)43-42(44)37-26-16-17-27-38(37)46(35-22-12-6-13-23-35)36-24-14-7-15-25-36/h4-29,40-41H,1-3H3,(H,43,44).
What are the key properties of 2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide?
2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide has a molecular weight of 651.81 g/mol, XLogP of 8.39, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-[1,2-diphenyl-2-(2,4,5-trimethylphenyl)sulfinylethyl]benzamide is sourced from PubChem (CID 102236264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).