4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine

C59H70O6P2 — CID 102435583

About 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine

4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 102435583) has the molecular formula C59H70O6P2 and a molecular weight of 937.15 g/mol. Its IUPAC name is 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

• Compound Name: 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
• PubChem CID: 102435583
• Molecular Formula: C59H70O6P2
• Molecular Weight: 937.15 g/mol
• Exact Mass: 936.46
• IUPAC Name: 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
• SMILES: Cc1cc(C(C)(C)C)c2op(Oc3ccccc3-c3ccccc3Op3oc4c(C(C)(C)C)cc(C)c(C)c4c4c(C)c(C)cc(C(C)(C)C)c4o3)oc3c(C(C)(C)C)cc(C)c(C)c3c2c1
• InChI: InChI=1S/C59H70O6P2/c1-33-28-42-49-37(5)34(2)30-44(57(11,12)13)53(49)63-66(62-52(42)43(29-33)56(8,9)10)60-47-26-22-20-24-40(47)41-25-21-23-27-48(41)61-67-64-54-45(58(14,15)16)31-35(3)38(6)50(54)51-39(7)36(4)32-46(55(51)65-67)59(17,18)19/h20-32H,1-19H3
• InChIKey: NFESXMPFZHEGJZ-UHFFFAOYSA-N
• XLogP: 19.59
• TPSA: 71.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.15
LogP ≤ 5	19.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?

The IUPAC name of 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (CID 102435583) is 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine.

What is the SMILES notation for 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?

The canonical SMILES for 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine is Cc1cc(C(C)(C)C)c2op(Oc3ccccc3-c3ccccc3Op3oc4c(C(C)(C)C)cc(C)c(C)c4c4c(C)c(C)cc(C(C)(C)C)c4o3)oc3c(C(C)(C)C)cc(C)c(C)c3c2c1.

What is the InChIKey of 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?

The InChIKey is NFESXMPFZHEGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H70O6P2/c1-33-28-42-49-37(5)34(2)30-44(57(11,12)13)53(49)63-66(62-52(42)43(29-33)56(8,9)10)60-47-26-22-20-24-40(47)41-25-21-23-27-48(41)61-67-64-54-45(58(14,15)16)31-35(3)38(6)50(54)51-39(7)36(4)32-46(55(51)65-67)59(17,18)19/h20-32H,1-19H3.

What are the key properties of 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?

4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 937.15 g/mol, XLogP of 19.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 102435583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).