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

C46H42F2O8P2 — CID 59931134

IUPAC6-[2-[2-(2,10-difluorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCOc1cc(C)c(Op2oc3ccc(F)cc3c3cc(F)ccc3o2)c(-c2c(C)c(OC)cc(C)c2Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c1C
InChIInChI=1S/C46H42F2O8P2/c1-23-15-25(3)43-35(17-23)36-18-24(2)16-26(4)44(36)54-58(53-43)56-46-28(6)20-40(50-10)30(8)42(46)41-29(7)39(49-9)19-27(5)45(41)55-57-51-37-13-11-31(47)21-33(37)34-22-32(48)12-14-38(34)52-57/h11-22H,1-10H3
InChIKeyUCQQKNGKJMYWKO-UHFFFAOYSA-N
MW822.78 g/mol
LogP15.01
Rot. Bonds7

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]-2,4,8,10-tetramethylbenzo[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]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 59931134) has the molecular formula C46H42F2O8P2 and a molecular weight of 822.78 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]-2,4,8,10-tetramethylbenzo[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]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID59931134
Molecular FormulaC46H42F2O8P2
Molecular Weight822.78 g/mol
Exact Mass822.23
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]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCOc1cc(C)c(Op2oc3ccc(F)cc3c3cc(F)ccc3o2)c(-c2c(C)c(OC)cc(C)c2Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c1C
InChIInChI=1S/C46H42F2O8P2/c1-23-15-25(3)43-35(17-23)36-18-24(2)16-26(4)44(36)54-58(53-43)56-46-28(6)20-40(50-10)30(8)42(46)41-29(7)39(49-9)19-27(5)45(41)55-57-51-37-13-11-31(47)21-33(37)34-22-32(48)12-14-38(34)52-57/h11-22H,1-10H3
InChIKeyUCQQKNGKJMYWKO-UHFFFAOYSA-N
XLogP15.01
TPSA89.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.78
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine with MolForge

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Related Compounds

6-[2-[2-(2,10-dimethoxybenzo[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 59931142
[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
6-anthracen-9-yloxy-4-methoxy-2,8,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 121375060
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
6-(2,6-diphenylphenoxy)-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 129105621
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
13-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-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 59931133
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-bromo-3,5-dimethylphenyl)-3-bromo-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 59931122
6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 158188032
3-tert-butyl-6-(3-tert-butylphenoxy)-8-methoxy-10-methylbenzo[d][1,3,2]benzodioxaphosphepine
CID 129016375
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
(6-anthracen-9-yloxy-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-4-yl)methanol
CID 121387167

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]-2,4,8,10-tetramethylbenzo[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]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (CID 59931134) 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]-2,4,8,10-tetramethylbenzo[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]-2,4,8,10-tetramethylbenzo[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]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine is COc1cc(C)c(Op2oc3ccc(F)cc3c3cc(F)ccc3o2)c(-c2c(C)c(OC)cc(C)c2Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c1C.
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]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is UCQQKNGKJMYWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42F2O8P2/c1-23-15-25(3)43-35(17-23)36-18-24(2)16-26(4)44(36)54-58(53-43)56-46-28(6)20-40(50-10)30(8)42(46)41-29(7)39(49-9)19-27(5)45(41)55-57-51-37-13-11-31(47)21-33(37)34-22-32(48)12-14-38(34)52-57/h11-22H,1-10H3.
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]-2,4,8,10-tetramethylbenzo[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]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 822.78 g/mol, XLogP of 15.01, 7 rotatable bonds, 0 hydrogen bond donors, and 8 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]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 59931134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).