2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine

C42H32Cl4O6P2 — CID 59931119

IUPAC2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(C)c(Op2oc3ccc(Cl)cc3c3cc(Cl)ccc3o2)c(-c2c(C)c(C)cc(C)c2Op2oc3ccc(Cl)cc3c3cc(Cl)ccc3o2)c1C
InChIInChI=1S/C42H32Cl4O6P2/c1-21-15-23(3)41(51-53-47-35-11-7-27(43)17-31(35)32-18-28(44)8-12-36(32)48-53)39(25(21)5)40-26(6)22(2)16-24(4)42(40)52-54-49-37-13-9-29(45)19-33(37)34-20-30(46)10-14-38(34)50-54/h7-20H,1-6H3
InChIKeyWUPVKHAIPPCLPH-UHFFFAOYSA-N
MW836.47 g/mol
LogP16.71
Rot. Bonds5

About 2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine

2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 59931119) has the molecular formula C42H32Cl4O6P2 and a molecular weight of 836.47 g/mol. Its IUPAC name is 2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
PubChem CID59931119
Molecular FormulaC42H32Cl4O6P2
Molecular Weight836.47 g/mol
Exact Mass834.04
IUPAC Name2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(C)c(Op2oc3ccc(Cl)cc3c3cc(Cl)ccc3o2)c(-c2c(C)c(C)cc(C)c2Op2oc3ccc(Cl)cc3c3cc(Cl)ccc3o2)c1C
InChIInChI=1S/C42H32Cl4O6P2/c1-21-15-23(3)41(51-53-47-35-11-7-27(43)17-31(35)32-18-28(44)8-12-36(32)48-53)39(25(21)5)40-26(6)22(2)16-24(4)42(40)52-54-49-37-13-9-29(45)19-33(37)34-20-30(46)10-14-38(34)50-54/h7-20H,1-6H3
InChIKeyWUPVKHAIPPCLPH-UHFFFAOYSA-N
XLogP16.71
TPSA71.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.47
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine with MolForge

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Related Compounds

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
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877430
2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 18860311
1,2,4,5-tetramethyl-3-(2,3,6-trimethylphenyl)benzene
CID 173377098
5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
CID 788114
tert-butyl N-[(5-chloro-3-methyl-1-benzofuran-2-yl)methyl]carbamate
CID 164866599
propyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 112724856
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
2-chloro-8-methylsulfanyldibenzofuran
CID 71336672
5-chloro-3-methyl-2-oxido-1,2-benzoxazol-2-ium
CID 5251009
2,6-dichloro-3-methyl-1-benzofuran
CID 151191447
2-(5-chloro-1-benzofuran-3-yl)acetate
CID 9158984

Frequently Asked Questions

What is the IUPAC name of 2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine (CID 59931119) is 2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine is Cc1cc(C)c(Op2oc3ccc(Cl)cc3c3cc(Cl)ccc3o2)c(-c2c(C)c(C)cc(C)c2Op2oc3ccc(Cl)cc3c3cc(Cl)ccc3o2)c1C.
What is the InChIKey of 2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is WUPVKHAIPPCLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32Cl4O6P2/c1-21-15-23(3)41(51-53-47-35-11-7-27(43)17-31(35)32-18-28(44)8-12-36(32)48-53)39(25(21)5)40-26(6)22(2)16-24(4)42(40)52-54-49-37-13-9-29(45)19-33(37)34-20-30(46)10-14-38(34)50-54/h7-20H,1-6H3.
What are the key properties of 2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine?
2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 836.47 g/mol, XLogP of 16.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 59931119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).