6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine

C49H50O6P2 — CID 54253063

IUPAC6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(C)c(Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c(Cc2cc(C)cc(C)c2Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c1
InChIInChI=1S/C49H50O6P2/c1-26-13-32(7)44(50-56-52-46-34(9)15-28(3)21-40(46)41-22-29(4)16-35(10)47(41)53-56)38(19-26)25-39-20-27(2)14-33(8)45(39)51-57-54-48-36(11)17-30(5)23-42(48)43-24-31(6)18-37(12)49(43)55-57/h13-24H,25H2,1-12H3
InChIKeyQYCSVPRBFFWHMO-UHFFFAOYSA-N
MW796.88 g/mol
LogP15.87
Rot. Bonds6

About 6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine

6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 54253063) has the molecular formula C49H50O6P2 and a molecular weight of 796.88 g/mol. Its IUPAC name is 6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID54253063
Molecular FormulaC49H50O6P2
Molecular Weight796.88 g/mol
Exact Mass796.31
IUPAC Name6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(C)c(Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c(Cc2cc(C)cc(C)c2Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c1
InChIInChI=1S/C49H50O6P2/c1-26-13-32(7)44(50-56-52-46-34(9)15-28(3)21-40(46)41-22-29(4)16-35(10)47(41)53-56)38(19-26)25-39-20-27(2)14-33(8)45(39)51-57-54-48-36(11)17-30(5)23-42(48)43-24-31(6)18-37(12)49(43)55-57/h13-24H,25H2,1-12H3
InChIKeyQYCSVPRBFFWHMO-UHFFFAOYSA-N
XLogP15.87
TPSA71.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.88
LogP ≤ 515.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine with MolForge

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Related Compounds

6-(2,6-diphenylphenoxy)-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 129105621
6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine
CID 23525881
6-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 59106222
[4-methoxy-3,6-dimethyl-2-[2,3,5-trimethyl-6-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenyl] dimethyl phosphite
CID 59931129
2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine
CID 16756452
6-[2-[2-(7H-benzo[d][1,2]benzoxaphosphepin-6-yloxy)-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 59931144
3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 59106226
4-tert-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-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine
CID 121476390
tert-butyl [2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenyl] carbonate
CID 118530076
(6-anthracen-9-yloxy-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-4-yl)methanol
CID 121387167
2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 145231460
4,8-ditert-butyl-6-[4-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 21130889

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (CID 54253063) is 6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine is Cc1cc(C)c(Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c(Cc2cc(C)cc(C)c2Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c1.
What is the InChIKey of 6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is QYCSVPRBFFWHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H50O6P2/c1-26-13-32(7)44(50-56-52-46-34(9)15-28(3)21-40(46)41-22-29(4)16-35(10)47(41)53-56)38(19-26)25-39-20-27(2)14-33(8)45(39)51-57-54-48-36(11)17-30(5)23-42(48)43-24-31(6)18-37(12)49(43)55-57/h13-24H,25H2,1-12H3.
What are the key properties of 6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 796.88 g/mol, XLogP of 15.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]methyl]-4,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 54253063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).