(R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide

C51H43F3NOPS — CID 166445166

About (R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide

(R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 166445166) has the molecular formula C51H43F3NOPS and a molecular weight of 805.95 g/mol. Its IUPAC name is (R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide
• PubChem CID: 166445166
• Molecular Formula: C51H43F3NOPS
• Molecular Weight: 805.95 g/mol
• Exact Mass: 805.28
• IUPAC Name: (R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide
• SMILES: CN([C@H](c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccccc3c2)c1)c1cc(C(F)(F)F)ccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C
• InChI: InChI=1S/C51H43F3NOPS/c1-50(2,3)58(56)55(4)49(47-34-44(51(52,53)54)27-28-48(47)57(45-19-7-5-8-20-45)46-21-9-6-10-22-46)43-32-41(39-25-23-35-15-11-13-17-37(35)29-39)31-42(33-43)40-26-24-36-16-12-14-18-38(36)30-40/h5-34,49H,1-4H3/t49-,58-/m1/s1
• InChIKey: IKOSVUVSTIYUII-NYVMUFAGSA-N
• XLogP: 12.59
• TPSA: 20.31 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.95
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide (CID 166445166) is (R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide is CN([C@H](c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccccc3c2)c1)c1cc(C(F)(F)F)ccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C.

What is the InChIKey of (R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide?

The InChIKey is IKOSVUVSTIYUII-NYVMUFAGSA-N. The full InChI is InChI=1S/C51H43F3NOPS/c1-50(2,3)58(56)55(4)49(47-34-44(51(52,53)54)27-28-48(47)57(45-19-7-5-8-20-45)46-21-9-6-10-22-46)43-32-41(39-25-23-35-15-11-13-17-37(35)29-39)31-42(33-43)40-26-24-36-16-12-14-18-38(36)30-40/h5-34,49H,1-4H3/t49-,58-/m1/s1.

What are the key properties of (R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide?

(R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 805.95 g/mol, XLogP of 12.59, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[(R)-(3,5-dinaphthalen-2-ylphenyl)-[2-diphenylphosphanyl-5-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 166445166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).