diphenyl-[5-(4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane

C23H23NOP- — CID 11985404

About diphenyl-[5-(4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane

diphenyl-[5-(4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane (PubChem CID 11985404) has the molecular formula C23H23NOP- and a molecular weight of 360.42 g/mol. Its IUPAC name is diphenyl-[5-(4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane.

Molecular Properties

• Compound Name: diphenyl-[5-(4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane
• PubChem CID: 11985404
• Molecular Formula: C23H23NOP-
• Molecular Weight: 360.42 g/mol
• Exact Mass: 360.15
• IUPAC Name: diphenyl-[5-(4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane
• SMILES: CC(C)C1COC(=C2C=CC=C2P(c2ccccc2)c2ccccc2)[N-]1
• InChI: InChI=1S/C23H23NOP/c1-17(2)21-16-25-23(24-21)20-14-9-15-22(20)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,21H,16H2,1-2H3/q-1
• InChIKey: BLPQOTCDEPEFBT-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 23.33 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.42
LogP ≤ 5	5.21
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 diphenyl-[5-(4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane?

The IUPAC name of diphenyl-[5-(4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane (CID 11985404) is diphenyl-[5-(4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane.

What is the SMILES notation for diphenyl-[5-(4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane?

The canonical SMILES for diphenyl-[5-(4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane is CC(C)C1COC(=C2C=CC=C2P(c2ccccc2)c2ccccc2)[N-]1.

What is the InChIKey of diphenyl-[5-(4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane?

The InChIKey is BLPQOTCDEPEFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NOP/c1-17(2)21-16-25-23(24-21)20-14-9-15-22(20)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,21H,16H2,1-2H3/q-1.

What are the key properties of diphenyl-[5-(4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane?

diphenyl-[5-(4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane has a molecular weight of 360.42 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[5-(4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]phosphane is sourced from PubChem (CID 11985404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).