5-methyl-2-[1-[2-[(5-methyl-4,4-diphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,4-diphenyl-1,3,2-dioxaphospholane

C50H40O6P2 — CID 135354011

About 5-methyl-2-[1-[2-[(5-methyl-4,4-diphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,4-diphenyl-1,3,2-dioxaphospholane

5-methyl-2-[1-[2-[(5-methyl-4,4-diphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,4-diphenyl-1,3,2-dioxaphospholane (PubChem CID 135354011) has the molecular formula C50H40O6P2 and a molecular weight of 798.81 g/mol. Its IUPAC name is 5-methyl-2-[1-[2-[(5-methyl-4,4-diphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,4-diphenyl-1,3,2-dioxaphospholane.

Molecular Properties

• Compound Name: 5-methyl-2-[1-[2-[(5-methyl-4,4-diphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,4-diphenyl-1,3,2-dioxaphospholane
• PubChem CID: 135354011
• Molecular Formula: C50H40O6P2
• Molecular Weight: 798.81 g/mol
• Exact Mass: 798.23
• IUPAC Name: 5-methyl-2-[1-[2-[(5-methyl-4,4-diphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,4-diphenyl-1,3,2-dioxaphospholane
• SMILES: CC1OP(Oc2ccc3ccccc3c2-c2c(OP3OC(C)C(c4ccccc4)(c4ccccc4)O3)ccc3ccccc23)OC1(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C50H40O6P2/c1-35-49(39-21-7-3-8-22-39,40-23-9-4-10-24-40)55-57(51-35)53-45-33-31-37-19-15-17-29-43(37)47(45)48-44-30-18-16-20-38(44)32-34-46(48)54-58-52-36(2)50(56-58,41-25-11-5-12-26-41)42-27-13-6-14-28-42/h3-36H,1-2H3
• InChIKey: PMKZINIBAVICCB-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.81
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[2-[(5-methyl-4,4-diphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,4-diphenyl-1,3,2-dioxaphospholane?

The IUPAC name of 5-methyl-2-[1-[2-[(5-methyl-4,4-diphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,4-diphenyl-1,3,2-dioxaphospholane (CID 135354011) is 5-methyl-2-[1-[2-[(5-methyl-4,4-diphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,4-diphenyl-1,3,2-dioxaphospholane.

What is the SMILES notation for 5-methyl-2-[1-[2-[(5-methyl-4,4-diphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,4-diphenyl-1,3,2-dioxaphospholane?

The canonical SMILES for 5-methyl-2-[1-[2-[(5-methyl-4,4-diphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,4-diphenyl-1,3,2-dioxaphospholane is CC1OP(Oc2ccc3ccccc3c2-c2c(OP3OC(C)C(c4ccccc4)(c4ccccc4)O3)ccc3ccccc23)OC1(c1ccccc1)c1ccccc1.

What is the InChIKey of 5-methyl-2-[1-[2-[(5-methyl-4,4-diphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,4-diphenyl-1,3,2-dioxaphospholane?

The InChIKey is PMKZINIBAVICCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40O6P2/c1-35-49(39-21-7-3-8-22-39,40-23-9-4-10-24-40)55-57(51-35)53-45-33-31-37-19-15-17-29-43(37)47(45)48-44-30-18-16-20-38(44)32-34-46(48)54-58-52-36(2)50(56-58,41-25-11-5-12-26-41)42-27-13-6-14-28-42/h3-36H,1-2H3.

What are the key properties of 5-methyl-2-[1-[2-[(5-methyl-4,4-diphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,4-diphenyl-1,3,2-dioxaphospholane?

5-methyl-2-[1-[2-[(5-methyl-4,4-diphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,4-diphenyl-1,3,2-dioxaphospholane has a molecular weight of 798.81 g/mol, XLogP of 13.63, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-[1-[2-[(5-methyl-4,4-diphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-4,4-diphenyl-1,3,2-dioxaphospholane is sourced from PubChem (CID 135354011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).