6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine

C47H46O5P2 — CID 59931144

About 6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine

6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 59931144) has the molecular formula C47H46O5P2 and a molecular weight of 752.83 g/mol. Its IUPAC name is 6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

• Compound Name: 6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
• PubChem CID: 59931144
• Molecular Formula: C47H46O5P2
• Molecular Weight: 752.83 g/mol
• Exact Mass: 752.28
• IUPAC Name: 6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
• SMILES: Cc1cc(C)c2op(Oc3c(C)cc(C)c(C)c3-c3c(C)c(C)cc(C)c3OP3Cc4ccccc4-c4ccccc4O3)oc3c(C)cc(C)cc3c2c1
• InChI: InChI=1S/C47H46O5P2/c1-26-19-30(5)44-39(21-26)40-22-27(2)20-31(6)45(40)51-54(50-44)52-47-33(8)24-29(4)35(10)43(47)42-34(9)28(3)23-32(7)46(42)49-53-25-36-15-11-12-16-37(36)38-17-13-14-18-41(38)48-53/h11-24H,25H2,1-10H3
• InChIKey: GFERHYSGUAFOLG-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 53.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.83
LogP ≤ 5	14.83
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 6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?

The IUPAC name of 6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (CID 59931144) is 6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine.

What is the SMILES notation for 6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?

The canonical SMILES for 6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine is Cc1cc(C)c2op(Oc3c(C)cc(C)c(C)c3-c3c(C)c(C)cc(C)c3OP3Cc4ccccc4-c4ccccc4O3)oc3c(C)cc(C)cc3c2c1.

What is the InChIKey of 6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?

The InChIKey is GFERHYSGUAFOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H46O5P2/c1-26-19-30(5)44-39(21-26)40-22-27(2)20-31(6)45(40)51-54(50-44)52-47-33(8)24-29(4)35(10)43(47)42-34(9)28(3)23-32(7)46(42)49-53-25-36-15-11-12-16-37(36)38-17-13-14-18-41(38)48-53/h11-24H,25H2,1-10H3.

What are the key properties of 6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?

6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 752.83 g/mol, XLogP of 14.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 59931144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).