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

C44H38F2O10P2 — CID 59931141

IUPAC6-[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
SMILESCOc1ccc2op(Oc3c(C)cc(OC)c(C)c3-c3c(C)c(OC)cc(C)c3Op3oc4ccc(F)cc4c4cc(F)ccc4o3)oc3ccc(OC)cc3c2c1
InChIInChI=1S/C44H38F2O10P2/c1-23-17-39(49-7)25(3)41(43(23)55-57-51-35-13-9-27(45)19-31(35)32-20-28(46)10-14-36(32)52-57)42-26(4)40(50-8)18-24(2)44(42)56-58-53-37-15-11-29(47-5)21-33(37)34-22-30(48-6)12-16-38(34)54-58/h9-22H,1-8H3
InChIKeyQQRNRYDIHLAEJG-UHFFFAOYSA-N
MW826.72 g/mol
LogP13.79
Rot. Bonds9

About 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

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 (PubChem CID 59931141) has the molecular formula C44H38F2O10P2 and a molecular weight of 826.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID59931141
Molecular FormulaC44H38F2O10P2
Molecular Weight826.72 g/mol
Exact Mass826.19
IUPAC Name6-[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
SMILESCOc1ccc2op(Oc3c(C)cc(OC)c(C)c3-c3c(C)c(OC)cc(C)c3Op3oc4ccc(F)cc4c4cc(F)ccc4o3)oc3ccc(OC)cc3c2c1
InChIInChI=1S/C44H38F2O10P2/c1-23-17-39(49-7)25(3)41(43(23)55-57-51-35-13-9-27(45)19-31(35)32-20-28(46)10-14-36(32)52-57)42-26(4)40(50-8)18-24(2)44(42)56-58-53-37-15-11-29(47-5)21-33(37)34-22-30(48-6)12-16-38(34)54-58/h9-22H,1-8H3
InChIKeyQQRNRYDIHLAEJG-UHFFFAOYSA-N
XLogP13.79
TPSA107.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.72
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
[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
[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
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
4,8-Ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
CID 117937200
6-[6-Tert-butyl-2-[3-tert-butyl-2-(2,10-difluorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-6-methylphenyl]-4-methoxy-3-methylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
CID 140414085
2,4,8,10-Tetratert-butyl-6-[6-tert-butyl-2-[3-tert-butyl-2-(2,10-difluorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-6-methylphenyl]-4-methoxy-3-methylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 140414111
[6-Tert-butyl-2-[5-tert-butyl-3-methoxy-2-methyl-6-(2,4,8,10-tetratert-butyl-1,11-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methoxy-3-methylphenoxy]-(4-fluorophenyl)phosphane
CID 140512539

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2op(Oc3c(C)cc(OC)c(C)c3-c3c(C)c(OC)cc(C)c3Op3oc4ccc(F)cc4c4cc(F)ccc4o3)oc3ccc(OC)cc3c2c1.
What is the InChIKey of 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?
The InChIKey is QQRNRYDIHLAEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38F2O10P2/c1-23-17-39(49-7)25(3)41(43(23)55-57-51-35-13-9-27(45)19-31(35)32-20-28(46)10-14-36(32)52-57)42-26(4)40(50-8)18-24(2)44(42)56-58-53-37-15-11-29(47-5)21-33(37)34-22-30(48-6)12-16-38(34)54-58/h9-22H,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 826.72 g/mol, XLogP of 13.79, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59931141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).