2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine

C64H60O4P2 — CID 20758584

About 2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine

2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 20758584) has the molecular formula C64H60O4P2 and a molecular weight of 955.13 g/mol. Its IUPAC name is 2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

• Compound Name: 2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine
• PubChem CID: 20758584
• Molecular Formula: C64H60O4P2
• Molecular Weight: 955.13 g/mol
• Exact Mass: 954.40
• IUPAC Name: 2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine
• SMILES: Cc1cc(C)c2op(-c3c(-c4ccccc4)cc4c(c3-c3c5c(cc(-c6ccccc6)c3-p3oc6c(C)cc(C)cc6c6cc(C)cc(C)c6o3)CCCC5)CCCC4)oc3c(C)cc(C)cc3c2c1
• InChI: InChI=1S/C64H60O4P2/c1-37-27-41(5)59-53(31-37)54-32-38(2)28-42(6)60(54)66-69(65-59)63-51(45-19-11-9-12-20-45)35-47-23-15-17-25-49(47)57(63)58-50-26-18-16-24-48(50)36-52(46-21-13-10-14-22-46)64(58)70-67-61-43(7)29-39(3)33-55(61)56-34-40(4)30-44(8)62(56)68-70/h9-14,19-22,27-36H,15-18,23-26H2,1-8H3
• InChIKey: JHYYTVBGWLIGCH-UHFFFAOYSA-N
• XLogP: 20.10
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.13
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine?

The IUPAC name of 2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine (CID 20758584) is 2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine.

What is the SMILES notation for 2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine?

The canonical SMILES for 2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine is Cc1cc(C)c2op(-c3c(-c4ccccc4)cc4c(c3-c3c5c(cc(-c6ccccc6)c3-p3oc6c(C)cc(C)cc6c6cc(C)cc(C)c6o3)CCCC5)CCCC4)oc3c(C)cc(C)cc3c2c1.

What is the InChIKey of 2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine?

The InChIKey is JHYYTVBGWLIGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H60O4P2/c1-37-27-41(5)59-53(31-37)54-32-38(2)28-42(6)60(54)66-69(65-59)63-51(45-19-11-9-12-20-45)35-47-23-15-17-25-49(47)57(63)58-50-26-18-16-24-48(50)36-52(46-21-13-10-14-22-46)64(58)70-67-61-43(7)29-39(3)33-55(61)56-34-40(4)30-44(8)62(56)68-70/h9-14,19-22,27-36H,15-18,23-26H2,1-8H3.

What are the key properties of 2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine?

2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 955.13 g/mol, XLogP of 20.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 20758584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).