diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane

C41H30NOP — CID 170897364

About diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane

diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane (PubChem CID 170897364) has the molecular formula C41H30NOP and a molecular weight of 583.67 g/mol. Its IUPAC name is diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane.

Molecular Properties

• Compound Name: diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane
• PubChem CID: 170897364
• Molecular Formula: C41H30NOP
• Molecular Weight: 583.67 g/mol
• Exact Mass: 583.21
• IUPAC Name: diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane
• SMILES: c1ccc([C@@H]2COC(c3ccc4ccccc4c3-c3c(P(c4ccccc4)c4ccccc4)ccc4ccccc34)=N2)cc1
• InChI: InChI=1S/C41H30NOP/c1-4-16-31(17-5-1)37-28-43-41(42-37)36-26-24-29-14-10-12-22-34(29)39(36)40-35-23-13-11-15-30(35)25-27-38(40)44(32-18-6-2-7-19-32)33-20-8-3-9-21-33/h1-27,37H,28H2/t37-/m0/s1
• InChIKey: LDRZNEUEMQLHJK-QNGWXLTQSA-N
• XLogP: 8.94
• TPSA: 21.59 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.67
LogP ≤ 5	8.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane?

The IUPAC name of diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane (CID 170897364) is diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane.

What is the SMILES notation for diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane?

The canonical SMILES for diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane is c1ccc([C@@H]2COC(c3ccc4ccccc4c3-c3c(P(c4ccccc4)c4ccccc4)ccc4ccccc34)=N2)cc1.

What is the InChIKey of diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane?

The InChIKey is LDRZNEUEMQLHJK-QNGWXLTQSA-N. The full InChI is InChI=1S/C41H30NOP/c1-4-16-31(17-5-1)37-28-43-41(42-37)36-26-24-29-14-10-12-22-34(29)39(36)40-35-23-13-11-15-30(35)25-27-38(40)44(32-18-6-2-7-19-32)33-20-8-3-9-21-33/h1-27,37H,28H2/t37-/m0/s1.

What are the key properties of diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane?

diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane has a molecular weight of 583.67 g/mol, XLogP of 8.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane is sourced from PubChem (CID 170897364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).