2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine

C56H80O5P2 — CID 19001723

IUPAC2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2op(Op3oc4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c4o3)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C56H80O5P2/c1-49(2,3)33-25-37-38-26-34(50(4,5)6)30-42(54(16,17)18)46(38)58-62(57-45(37)41(29-33)53(13,14)15)61-63-59-47-39(27-35(51(7,8)9)31-43(47)55(19,20)21)40-28-36(52(10,11)12)32-44(48(40)60-63)56(22,23)24/h25-32H,1-24H3
InChIKeyIYRDDKXCGDIUOW-UHFFFAOYSA-N
MW895.20 g/mol
LogP19.17
Rot. Bonds2

About 2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine

2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 19001723) has the molecular formula C56H80O5P2 and a molecular weight of 895.20 g/mol. Its IUPAC name is 2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID19001723
Molecular FormulaC56H80O5P2
Molecular Weight895.20 g/mol
Exact Mass894.55
IUPAC Name2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2op(Op3oc4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c4o3)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C56H80O5P2/c1-49(2,3)33-25-37-38-26-34(50(4,5)6)30-42(54(16,17)18)46(38)58-62(57-45(37)41(29-33)53(13,14)15)61-63-59-47-39(27-35(51(7,8)9)31-43(47)55(19,20)21)40-28-36(52(10,11)12)32-44(48(40)60-63)56(22,23)24/h25-32H,1-24H3
InChIKeyIYRDDKXCGDIUOW-UHFFFAOYSA-N
XLogP19.17
TPSA61.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.20
LogP ≤ 519.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine (CID 19001723) is 2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine is CC(C)(C)c1cc(C(C)(C)C)c2op(Op3oc4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c4o3)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1.
What is the InChIKey of 2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is IYRDDKXCGDIUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H80O5P2/c1-49(2,3)33-25-37-38-26-34(50(4,5)6)30-42(54(16,17)18)46(38)58-62(57-45(37)41(29-33)53(13,14)15)61-63-59-47-39(27-35(51(7,8)9)31-43(47)55(19,20)21)40-28-36(52(10,11)12)32-44(48(40)60-63)56(22,23)24/h25-32H,1-24H3.
What are the key properties of 2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine?
2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 895.20 g/mol, XLogP of 19.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,10-tetratert-butyl-6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 19001723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).