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

C60H72O6P2 — CID 11815482

IUPAC4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(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)c3c2c1C
InChIInChI=1S/C60H72O6P2/c1-33-29-43(57(9,10)11)53-49(37(33)5)50-38(6)34(2)30-44(58(12,13)14)54(50)64-67(63-53)61-47-27-23-21-25-41(47)42-26-22-24-28-48(42)62-68-65-55-45(59(15,16)17)31-35(3)39(7)51(55)52-40(8)36(4)32-46(56(52)66-68)60(18,19)20/h21-32H,1-20H3
InChIKeyBWNYBZZRRYVGQK-UHFFFAOYSA-N
MW951.18 g/mol
LogP19.90
Rot. Bonds5

About 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[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-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 11815482) has the molecular formula C60H72O6P2 and a molecular weight of 951.18 g/mol. Its IUPAC name is 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID11815482
Molecular FormulaC60H72O6P2
Molecular Weight951.18 g/mol
Exact Mass950.48
IUPAC Name4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(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)c3c2c1C
InChIInChI=1S/C60H72O6P2/c1-33-29-43(57(9,10)11)53-49(37(33)5)50-38(6)34(2)30-44(58(12,13)14)54(50)64-67(63-53)61-47-27-23-21-25-41(47)42-26-22-24-28-48(42)62-68-65-55-45(59(15,16)17)31-35(3)39(7)51(55)52-40(8)36(4)32-46(56(52)66-68)60(18,19)20/h21-32H,1-20H3
InChIKeyBWNYBZZRRYVGQK-UHFFFAOYSA-N
XLogP19.90
TPSA71.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.18
LogP ≤ 519.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[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-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (CID 11815482) is 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[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-1,2,10,11-tetramethylbenzo[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-1,2,10,11-tetramethylbenzo[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)c3c2c1C.
What is the InChIKey of 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is BWNYBZZRRYVGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H72O6P2/c1-33-29-43(57(9,10)11)53-49(37(33)5)50-38(6)34(2)30-44(58(12,13)14)54(50)64-67(63-53)61-47-27-23-21-25-41(47)42-26-22-24-28-48(42)62-68-65-55-45(59(15,16)17)31-35(3)39(7)51(55)52-40(8)36(4)32-46(56(52)66-68)60(18,19)20/h21-32H,1-20H3.
What are the key properties of 4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[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-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 951.18 g/mol, XLogP of 19.90, 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-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 11815482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).