6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine

C55H60O10P2 — CID 89135130

IUPAC6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESC=C(C)c1cc(OC)cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c1Op1oc2ccccc2c2ccccc2o1
InChIInChI=1S/C55H60O10P2/c1-32(2)39-24-33(56-12)25-40(49(39)62-66-60-47-22-18-16-20-37(47)38-21-17-19-23-48(38)61-66)41-26-34(57-13)29-44(53(3,4)5)50(41)63-67-64-51-42(27-35(58-14)30-45(51)54(6,7)8)43-28-36(59-15)31-46(52(43)65-67)55(9,10)11/h16-31H,1H2,2-15H3
InChIKeyLSNQNECBRIDFAK-UHFFFAOYSA-N
MW943.02 g/mol
LogP17.20
Rot. Bonds10

About 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine

6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 89135130) has the molecular formula C55H60O10P2 and a molecular weight of 943.02 g/mol. Its IUPAC name is 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID89135130
Molecular FormulaC55H60O10P2
Molecular Weight943.02 g/mol
Exact Mass942.37
IUPAC Name6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESC=C(C)c1cc(OC)cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c1Op1oc2ccccc2c2ccccc2o1
InChIInChI=1S/C55H60O10P2/c1-32(2)39-24-33(56-12)25-40(49(39)62-66-60-47-22-18-16-20-37(47)38-21-17-19-23-48(38)61-66)41-26-34(57-13)29-44(53(3,4)5)50(41)63-67-64-51-42(27-35(58-14)30-45(51)54(6,7)8)43-28-36(59-15)31-46(52(43)65-67)55(9,10)11/h16-31H,1H2,2-15H3
InChIKeyLSNQNECBRIDFAK-UHFFFAOYSA-N
XLogP17.20
TPSA107.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.02
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine (CID 89135130) is 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine is C=C(C)c1cc(OC)cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c1Op1oc2ccccc2c2ccccc2o1.
What is the InChIKey of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is LSNQNECBRIDFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H60O10P2/c1-32(2)39-24-33(56-12)25-40(49(39)62-66-60-47-22-18-16-20-37(47)38-21-17-19-23-48(38)61-66)41-26-34(57-13)29-44(53(3,4)5)50(41)63-67-64-51-42(27-35(58-14)30-45(51)54(6,7)8)43-28-36(59-15)31-46(52(43)65-67)55(9,10)11/h16-31H,1H2,2-15H3.
What are the key properties of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 943.02 g/mol, XLogP of 17.20, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-prop-1-en-2-ylphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 89135130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).