6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine

C136H176O12P4 — CID 158662327

About 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine

6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 158662327) has the molecular formula C136H176O12P4 and a molecular weight of 2126.79 g/mol. Its IUPAC name is 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

• Compound Name: 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
• PubChem CID: 158662327
• Molecular Formula: C136H176O12P4
• Molecular Weight: 2126.79 g/mol
• Exact Mass: 2125.21
• IUPAC Name: 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
• SMILES: CC(C)(C)CC(C)(C)c1cc(-c2cc(C(C)(C)CC(C)(C)C)cc(C(C)(C)CC(C)(C)C)c2Op2oc3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc3o2)c(Op2oc3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc3o2)c(C(C)(C)CC(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3ccccc3c3ccccc3o2)c(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1
• InChI: InChI=1S/C84H120O6P2.C52H56O6P2/c1-73(2,3)49-81(25,26)57-45-63(71(65(47-57)83(29,30)51-75(7,8)9)89-91-85-67-37-33-53(77(13,14)15)41-59(67)60-42-54(78(16,17)18)34-38-68(60)86-91)64-46-58(82(27,28)50-74(4,5)6)48-66(84(31,32)52-76(10,11)12)72(64)90-92-87-69-39-35-55(79(19,20)21)43-61(69)62-44-56(80(22,23)24)36-40-70(62)88-92;1-49(2,3)33-29-39(47(41(31-33)51(7,8)9)57-59-53-43-25-17-13-21-35(43)36-22-14-18-26-44(36)54-59)40-30-34(50(4,5)6)32-42(52(10,11)12)48(40)58-60-55-45-27-19-15-23-37(45)38-24-16-20-28-46(38)56-60/h33-48H,49-52H2,1-32H3;13-32H,1-12H3
• InChIKey: ICXIBOFNOAQMGY-UHFFFAOYSA-N
• XLogP: 45.72
• TPSA: 142.04 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2126.79
LogP ≤ 5	45.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?

The IUPAC name of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine (CID 158662327) is 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine.

What is the SMILES notation for 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?

The canonical SMILES for 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine is CC(C)(C)CC(C)(C)c1cc(-c2cc(C(C)(C)CC(C)(C)C)cc(C(C)(C)CC(C)(C)C)c2Op2oc3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc3o2)c(Op2oc3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc3o2)c(C(C)(C)CC(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3ccccc3c3ccccc3o2)c(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1.

What is the InChIKey of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?

The InChIKey is ICXIBOFNOAQMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H120O6P2.C52H56O6P2/c1-73(2,3)49-81(25,26)57-45-63(71(65(47-57)83(29,30)51-75(7,8)9)89-91-85-67-37-33-53(77(13,14)15)41-59(67)60-42-54(78(16,17)18)34-38-68(60)86-91)64-46-58(82(27,28)50-74(4,5)6)48-66(84(31,32)52-76(10,11)12)72(64)90-92-87-69-39-35-55(79(19,20)21)43-61(69)62-44-56(80(22,23)24)36-40-70(62)88-92;1-49(2,3)33-29-39(47(41(31-33)51(7,8)9)57-59-53-43-25-17-13-21-35(43)36-22-14-18-26-44(36)54-59)40-30-34(50(4,5)6)32-42(52(10,11)12)48(40)58-60-55-45-27-19-15-23-37(45)38-24-16-20-28-46(38)56-60/h33-48H,49-52H2,1-32H3;13-32H,1-12H3.

What are the key properties of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?

6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 2126.79 g/mol, XLogP of 45.72, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 158662327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).