[2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite

C57H68O10P2 — CID 89365092

IUPAC[2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite
SMILESCOc1cc(Cc2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(CO)cc3c3cc(CO)cc(C(C)(C)C)c3o2)c(OP(Oc2ccccc2)Oc2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C57H68O10P2/c1-54(2,3)46-27-36(34-58)25-44-45-26-37(35-59)28-47(55(4,5)6)53(45)67-69(66-52(44)46)65-51-39(31-43(61-14)33-49(51)57(10,11)12)29-38-30-42(60-13)32-48(56(7,8)9)50(38)64-68(62-40-21-17-15-18-22-40)63-41-23-19-16-20-24-41/h15-28,30-33,58-59H,29,34-35H2,1-14H3
InChIKeyAZXPTFWZMAPRBD-UHFFFAOYSA-N
MW975.11 g/mol
LogP15.68
Rot. Bonds14

About [2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite

[2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite (PubChem CID 89365092) has the molecular formula C57H68O10P2 and a molecular weight of 975.11 g/mol. Its IUPAC name is [2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite.

Molecular Properties

Compound Name[2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite
PubChem CID89365092
Molecular FormulaC57H68O10P2
Molecular Weight975.11 g/mol
Exact Mass974.43
IUPAC Name[2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite
SMILESCOc1cc(Cc2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(CO)cc3c3cc(CO)cc(C(C)(C)C)c3o2)c(OP(Oc2ccccc2)Oc2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C57H68O10P2/c1-54(2,3)46-27-36(34-58)25-44-45-26-37(35-59)28-47(55(4,5)6)53(45)67-69(66-52(44)46)65-51-39(31-43(61-14)33-49(51)57(10,11)12)29-38-30-42(60-13)32-48(56(7,8)9)50(38)64-68(62-40-21-17-15-18-22-40)63-41-23-19-16-20-24-41/h15-28,30-33,58-59H,29,34-35H2,1-14H3
InChIKeyAZXPTFWZMAPRBD-UHFFFAOYSA-N
XLogP15.68
TPSA122.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.11
LogP ≤ 515.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite?
The IUPAC name of [2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite (CID 89365092) is [2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite.
What is the SMILES notation for [2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite?
The canonical SMILES for [2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite is COc1cc(Cc2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(CO)cc3c3cc(CO)cc(C(C)(C)C)c3o2)c(OP(Oc2ccccc2)Oc2ccccc2)c(C(C)(C)C)c1.
What is the InChIKey of [2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite?
The InChIKey is AZXPTFWZMAPRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H68O10P2/c1-54(2,3)46-27-36(34-58)25-44-45-26-37(35-59)28-47(55(4,5)6)53(45)67-69(66-52(44)46)65-51-39(31-43(61-14)33-49(51)57(10,11)12)29-38-30-42(60-13)32-48(56(7,8)9)50(38)64-68(62-40-21-17-15-18-22-40)63-41-23-19-16-20-24-41/h15-28,30-33,58-59H,29,34-35H2,1-14H3.
What are the key properties of [2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite?
[2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite has a molecular weight of 975.11 g/mol, XLogP of 15.68, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite is sourced from PubChem (CID 89365092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).