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

C74H102O10P2 — CID 22944100

IUPAC[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(4-nonylphenyl) phosphite
SMILESCCCCCCCCCc1ccc(OP(Oc2ccc(CCCCCCCCC)cc2)Oc2c(-c3cc(OC)cc(C(C)(C)C)c3Op3oc4c(C(C)(C)C)cc(OC)cc4c4cc(OC)cc(C(C)(C)C)c4o3)cc(OC)cc2C(C)(C)C)cc1
InChIInChI=1S/C74H102O10P2/c1-19-21-23-25-27-29-31-33-51-35-39-53(40-36-51)79-85(80-54-41-37-52(38-42-54)34-32-30-28-26-24-22-20-2)81-67-59(43-55(75-15)47-63(67)71(3,4)5)60-44-56(76-16)48-64(72(6,7)8)68(60)82-86-83-69-61(45-57(77-17)49-65(69)73(9,10)11)62-46-58(78-18)50-66(70(62)84-86)74(12,13)14/h35-50H,19-34H2,1-18H3
InChIKeyUMFNEUDJMVTLJC-UHFFFAOYSA-N
MW1213.57 g/mol
LogP23.37
Rot. Bonds29

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

[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(4-nonylphenyl) phosphite (PubChem CID 22944100) has the molecular formula C74H102O10P2 and a molecular weight of 1213.57 g/mol. Its IUPAC name is [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(4-nonylphenyl) phosphite.

Molecular Properties

Compound Name[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(4-nonylphenyl) phosphite
PubChem CID22944100
Molecular FormulaC74H102O10P2
Molecular Weight1213.57 g/mol
Exact Mass1212.69
IUPAC Name[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(4-nonylphenyl) phosphite
SMILESCCCCCCCCCc1ccc(OP(Oc2ccc(CCCCCCCCC)cc2)Oc2c(-c3cc(OC)cc(C(C)(C)C)c3Op3oc4c(C(C)(C)C)cc(OC)cc4c4cc(OC)cc(C(C)(C)C)c4o3)cc(OC)cc2C(C)(C)C)cc1
InChIInChI=1S/C74H102O10P2/c1-19-21-23-25-27-29-31-33-51-35-39-53(40-36-51)79-85(80-54-41-37-52(38-42-54)34-32-30-28-26-24-22-20-2)81-67-59(43-55(75-15)47-63(67)71(3,4)5)60-44-56(76-16)48-64(72(6,7)8)68(60)82-86-83-69-61(45-57(77-17)49-65(69)73(9,10)11)62-46-58(78-18)50-66(70(62)84-86)74(12,13)14/h35-50H,19-34H2,1-18H3
InChIKeyUMFNEUDJMVTLJC-UHFFFAOYSA-N
XLogP23.37
TPSA100.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds29
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.57
LogP ≤ 523.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

6,6'-((3,3',5,5'-Tetrakis(1,1-dimethylethyl)(1,1'-biphenyl)-2,2'-diyl)bis(oxy))bis(dibenzo(d,f)(1,3,2)dioxaphosphepin)
CID 10963933
6,6'-[[3,3'-Bis(1,1-dimethylethyl)-5,5'-dimethoxy[1,1'-biphenyl]-2,2'-diyl]bis(oxy)]bis[dibenzo[d,f][1,3,2]dioxaphosphepin]
CID 10865829
6,6'-[(2R,4R)-2,4-Pentanediylbis(oxy)]bis[2,10-dimethoxy-4,8-bis(2-methyl-2-propanyl)dibenzo[d,f][1,3,2]dioxaphosphepine]
CID 11029302
13-(2-Methoxyphenyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 59827443
[2-Tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite
CID 11062032
4,4'-(Oxybis(2,1-phenylene))didinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 11239787
(11bR,11'bR)-4,4'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin]
CID 11686527
4,8-Di-tert-butyl-6-chloro-2,10-dimethoxydibenzo[d,f][1,3,2]dioxaphosphepine
CID 12983931
4,8-Ditert-butyl-6-fluoro-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
CID 20801969
(4-Fluorophenyl)-[2-[2-(1,2,4,8,10,11-hexamethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]phosphane
CID 57937690
6-[2-[2-(2,10-Difluorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 59931134
6-[2-[2-(2,10-Difluorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
CID 59931141

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(4-nonylphenyl) phosphite?
The IUPAC name of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(4-nonylphenyl) phosphite (CID 22944100) is [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(4-nonylphenyl) phosphite.
What is the SMILES notation for [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(4-nonylphenyl) phosphite?
The canonical SMILES for [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(4-nonylphenyl) phosphite is CCCCCCCCCc1ccc(OP(Oc2ccc(CCCCCCCCC)cc2)Oc2c(-c3cc(OC)cc(C(C)(C)C)c3Op3oc4c(C(C)(C)C)cc(OC)cc4c4cc(OC)cc(C(C)(C)C)c4o3)cc(OC)cc2C(C)(C)C)cc1.
What is the InChIKey of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(4-nonylphenyl) phosphite?
The InChIKey is UMFNEUDJMVTLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H102O10P2/c1-19-21-23-25-27-29-31-33-51-35-39-53(40-36-51)79-85(80-54-41-37-52(38-42-54)34-32-30-28-26-24-22-20-2)81-67-59(43-55(75-15)47-63(67)71(3,4)5)60-44-56(76-16)48-64(72(6,7)8)68(60)82-86-83-69-61(45-57(77-17)49-65(69)73(9,10)11)62-46-58(78-18)50-66(70(62)84-86)74(12,13)14/h35-50H,19-34H2,1-18H3.
What are the key properties of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(4-nonylphenyl) phosphite?
[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(4-nonylphenyl) phosphite has a molecular weight of 1213.57 g/mol, XLogP of 23.37, 29 rotatable bonds, 0 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-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(4-nonylphenyl) phosphite is sourced from PubChem (CID 22944100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).