[2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane

C50H47OP3 — CID 101101962

IUPAC[2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane
SMILESC=Cc1ccc(COCC(CP(c2ccccc2)c2ccccc2)(CP(c2ccccc2)c2ccccc2)CP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H47OP3/c1-2-42-33-35-43(36-34-42)37-51-38-50(39-52(44-21-9-3-10-22-44)45-23-11-4-12-24-45,40-53(46-25-13-5-14-26-46)47-27-15-6-16-28-47)41-54(48-29-17-7-18-30-48)49-31-19-8-20-32-49/h2-36H,1,37-41H2
InChIKeyNUFQKZXXSYORNY-UHFFFAOYSA-N
MW756.85 g/mol
LogP10.23
Rot. Bonds17

About [2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane

[2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane (PubChem CID 101101962) has the molecular formula C50H47OP3 and a molecular weight of 756.85 g/mol. Its IUPAC name is [2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane.

Molecular Properties

Compound Name[2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane
PubChem CID101101962
Molecular FormulaC50H47OP3
Molecular Weight756.85 g/mol
Exact Mass756.28
IUPAC Name[2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane
SMILESC=Cc1ccc(COCC(CP(c2ccccc2)c2ccccc2)(CP(c2ccccc2)c2ccccc2)CP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H47OP3/c1-2-42-33-35-43(36-34-42)37-51-38-50(39-52(44-21-9-3-10-22-44)45-23-11-4-12-24-45,40-53(46-25-13-5-14-26-46)47-27-15-6-16-28-47)41-54(48-29-17-7-18-30-48)49-31-19-8-20-32-49/h2-36H,1,37-41H2
InChIKeyNUFQKZXXSYORNY-UHFFFAOYSA-N
XLogP10.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.85
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
potassium [5-[(4-ethenylphenyl)methoxy]-2,4,4-trimethylpentan-2-yl]-phenylazanide
CID 143602757
1-ethenyl-4-(phenylmethoxymethoxy)benzene
CID 54554930
(4-ethenylphenyl)methoxymethylsilane
CID 159198884
N-[2-[(4-ethenylphenyl)methoxy]ethyl]aniline
CID 58421196
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
1-ethenyl-3-(phenylmethoxymethyl)benzene
CID 10443616
2,2-difluorobut-3-enoxymethylbenzene
CID 170548757
N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine
CID 118177639
ethenyl(phenylmethoxymethyl)silane
CID 154024550
3-[(4-ethenylphenyl)methoxy]propan-1-amine
CID 164938330
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384

Frequently Asked Questions

What is the IUPAC name of [2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane?
The IUPAC name of [2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane (CID 101101962) is [2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane.
What is the SMILES notation for [2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane?
The canonical SMILES for [2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane is C=Cc1ccc(COCC(CP(c2ccccc2)c2ccccc2)(CP(c2ccccc2)c2ccccc2)CP(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane?
The InChIKey is NUFQKZXXSYORNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H47OP3/c1-2-42-33-35-43(36-34-42)37-51-38-50(39-52(44-21-9-3-10-22-44)45-23-11-4-12-24-45,40-53(46-25-13-5-14-26-46)47-27-15-6-16-28-47)41-54(48-29-17-7-18-30-48)49-31-19-8-20-32-49/h2-36H,1,37-41H2.
What are the key properties of [2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane?
[2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane has a molecular weight of 756.85 g/mol, XLogP of 10.23, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(diphenylphosphanylmethyl)-3-[(4-ethenylphenyl)methoxy]propyl]-diphenylphosphane is sourced from PubChem (CID 101101962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).