[2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane

C55H46O5P2 — CID 75292460

About [2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane

[2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane (PubChem CID 75292460) has the molecular formula C55H46O5P2 and a molecular weight of 848.92 g/mol. Its IUPAC name is [2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane.

Molecular Properties

• Compound Name: [2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane
• PubChem CID: 75292460
• Molecular Formula: C55H46O5P2
• Molecular Weight: 848.92 g/mol
• Exact Mass: 848.28
• IUPAC Name: [2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane
• SMILES: CC1(C)OC2C(O1)C(c1ccccc1)(c1ccccc1)OP(Oc1c(-c3ccccc3)cccc1P(c1ccccc1)c1ccccc1)OC2(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C55H46O5P2/c1-53(2)56-51-52(57-53)55(44-31-16-6-17-32-44,45-33-18-7-19-34-45)60-62(59-54(51,42-27-12-4-13-28-42)43-29-14-5-15-30-43)58-50-48(41-25-10-3-11-26-41)39-24-40-49(50)61(46-35-20-8-21-36-46)47-37-22-9-23-38-47/h3-40,51-52H,1-2H3
• InChIKey: OQTZCNLBVJLGQD-UHFFFAOYSA-N
• XLogP: 12.17
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.92
LogP ≤ 5	12.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane?

The IUPAC name of [2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane (CID 75292460) is [2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane.

What is the SMILES notation for [2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane?

The canonical SMILES for [2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane is CC1(C)OC2C(O1)C(c1ccccc1)(c1ccccc1)OP(Oc1c(-c3ccccc3)cccc1P(c1ccccc1)c1ccccc1)OC2(c1ccccc1)c1ccccc1.

What is the InChIKey of [2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane?

The InChIKey is OQTZCNLBVJLGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H46O5P2/c1-53(2)56-51-52(57-53)55(44-31-16-6-17-32-44,45-33-18-7-19-34-45)60-62(59-54(51,42-27-12-4-13-28-42)43-29-14-5-15-30-43)58-50-48(41-25-10-3-11-26-41)39-24-40-49(50)61(46-35-20-8-21-36-46)47-37-22-9-23-38-47/h3-40,51-52H,1-2H3.

What are the key properties of [2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane?

[2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane has a molecular weight of 848.92 g/mol, XLogP of 12.17, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane is sourced from PubChem (CID 75292460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).