6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;11-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine

C81H70O12P4 — CID 159415230

About 6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;11-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine

6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;11-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine (PubChem CID 159415230) has the molecular formula C81H70O12P4 and a molecular weight of 1359.33 g/mol. Its IUPAC name is 6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;11-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine.

Molecular Properties

• Compound Name: 6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;11-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine
• PubChem CID: 159415230
• Molecular Formula: C81H70O12P4
• Molecular Weight: 1359.33 g/mol
• Exact Mass: 1358.38
• IUPAC Name: 6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;11-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine
• SMILES: Cc1cc(C)c(OP2Oc3cccc4cccc(c34)O2)c(-c2cc(C)cc(C)c2Op2oc3ccccc3c3ccccc3o2)c1.Cc1cc(C)c2c(c1)Cc1cc(C)cc(C)c1OP(Oc1c(C)cc(C)cc1-c1cc(C)cc(C)c1OP1Oc3cccc4cccc(c34)O1)O2
• InChI: InChI=1S/C43H40O6P2.C38H30O6P2/c1-24-15-28(5)40-33(19-24)23-34-20-25(2)16-29(6)41(34)47-51(46-40)49-43-31(8)18-27(4)22-36(43)35-21-26(3)17-30(7)42(35)48-50-44-37-13-9-11-32-12-10-14-38(45-50)39(32)37;1-23-19-25(3)37(43-45-39-32-15-7-5-13-28(32)29-14-6-8-16-33(29)40-45)30(21-23)31-22-24(2)20-26(4)38(31)44-46-41-34-17-9-11-27-12-10-18-35(42-46)36(27)34/h9-22H,23H2,1-8H3;5-22H,1-4H3
• InChIKey: LPBRTGWPXZSSDX-UHFFFAOYSA-N
• XLogP: 24.98
• TPSA: 118.58 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1359.33
LogP ≤ 5	24.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;11-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine?

The IUPAC name of 6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;11-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine (CID 159415230) is 6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;11-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine.

What is the SMILES notation for 6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;11-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine?

The canonical SMILES for 6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;11-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine is Cc1cc(C)c(OP2Oc3cccc4cccc(c34)O2)c(-c2cc(C)cc(C)c2Op2oc3ccccc3c3ccccc3o2)c1.Cc1cc(C)c2c(c1)Cc1cc(C)cc(C)c1OP(Oc1c(C)cc(C)cc1-c1cc(C)cc(C)c1OP1Oc3cccc4cccc(c34)O1)O2.

What is the InChIKey of 6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;11-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine?

The InChIKey is LPBRTGWPXZSSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40O6P2.C38H30O6P2/c1-24-15-28(5)40-33(19-24)23-34-20-25(2)16-29(6)41(34)47-51(46-40)49-43-31(8)18-27(4)22-36(43)35-21-26(3)17-30(7)42(35)48-50-44-37-13-9-11-32-12-10-14-38(45-50)39(32)37;1-23-19-25(3)37(43-45-39-32-15-7-5-13-28(32)29-14-6-8-16-33(29)40-45)30(21-23)31-22-24(2)20-26(4)38(31)44-46-41-34-17-9-11-27-12-10-18-35(42-46)36(27)34/h9-22H,23H2,1-8H3;5-22H,1-4H3.

What are the key properties of 6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;11-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine?

6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;11-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine has a molecular weight of 1359.33 g/mol, XLogP of 24.98, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;11-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine is sourced from PubChem (CID 159415230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).