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

C38H32NOP — CID 170897578

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

diphenyl-[1-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane (PubChem CID 170897578) has the molecular formula C38H32NOP and a molecular weight of 549.65 g/mol. Its IUPAC name is diphenyl-[1-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane.

Molecular Properties

• Compound Name: diphenyl-[1-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane
• PubChem CID: 170897578
• Molecular Formula: C38H32NOP
• Molecular Weight: 549.65 g/mol
• Exact Mass: 549.22
• IUPAC Name: diphenyl-[1-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane
• SMILES: CC(C)[C@H]1COC(c2cc(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccccc34)c3ccccc3c2)=N1
• InChI: InChI=1S/C38H32NOP/c1-26(2)35-25-40-38(39-35)29-23-28-14-10-11-19-32(28)34(24-29)37-33-20-12-9-13-27(33)21-22-36(37)41(30-15-5-3-6-16-30)31-17-7-4-8-18-31/h3-24,26,35H,25H2,1-2H3/t35-/m1/s1
• InChIKey: JZGPXEGMJMDHLC-PGUFJCEWSA-N
• XLogP: 8.22
• TPSA: 21.59 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.65
LogP ≤ 5	8.22
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-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane?

The IUPAC name of diphenyl-[1-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane (CID 170897578) is diphenyl-[1-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane.

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

The canonical SMILES for diphenyl-[1-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane is CC(C)[C@H]1COC(c2cc(-c3c(P(c4ccccc4)c4ccccc4)ccc4ccccc34)c3ccccc3c2)=N1.

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

The InChIKey is JZGPXEGMJMDHLC-PGUFJCEWSA-N. The full InChI is InChI=1S/C38H32NOP/c1-26(2)35-25-40-38(39-35)29-23-28-14-10-11-19-32(28)34(24-29)37-33-20-12-9-13-27(33)21-22-36(37)41(30-15-5-3-6-16-30)31-17-7-4-8-18-31/h3-24,26,35H,25H2,1-2H3/t35-/m1/s1.

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

diphenyl-[1-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane has a molecular weight of 549.65 g/mol, XLogP of 8.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[1-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane is sourced from PubChem (CID 170897578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).