1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene

C60H46O5P4 — CID 132556763

IUPAC1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(Oc2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2P(=O)(c2ccccc2)c2ccccc2)c(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C60H46O5P4/c61-66(47-25-9-1-10-26-47,48-27-11-2-12-28-48)55-41-43-57(59(45-55)68(63,51-33-17-5-18-34-51)52-35-19-6-20-36-52)65-58-44-42-56(67(62,49-29-13-3-14-30-49)50-31-15-4-16-32-50)46-60(58)69(64,53-37-21-7-22-38-53)54-39-23-8-24-40-54/h1-46H
InChIKeyDOCHDRDLUUMFQG-UHFFFAOYSA-N
MW970.92 g/mol
LogP10.04
Rot. Bonds14

About 1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene

1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene (PubChem CID 132556763) has the molecular formula C60H46O5P4 and a molecular weight of 970.92 g/mol. Its IUPAC name is 1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene.

Molecular Properties

Compound Name1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene
PubChem CID132556763
Molecular FormulaC60H46O5P4
Molecular Weight970.92 g/mol
Exact Mass970.23
IUPAC Name1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(Oc2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2P(=O)(c2ccccc2)c2ccccc2)c(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C60H46O5P4/c61-66(47-25-9-1-10-26-47,48-27-11-2-12-28-48)55-41-43-57(59(45-55)68(63,51-33-17-5-18-34-51)52-35-19-6-20-36-52)65-58-44-42-56(67(62,49-29-13-3-14-30-49)50-31-15-4-16-32-50)46-60(58)69(64,53-37-21-7-22-38-53)54-39-23-8-24-40-54/h1-46H
InChIKeyDOCHDRDLUUMFQG-UHFFFAOYSA-N
XLogP10.04
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.92
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane
CID 144799075
1,2,3,4-tetradeuterio-5-diphenylphosphoryl-6-(2,3,4,5-tetradeuterio-6-diphenylphosphorylphenoxy)benzene
CID 166047124
2-diphenylphosphoryl-1,4-dimethoxybenzene
CID 15129135
diphenylphosphorylbenzene;terbium
CID 86595283
9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole
CID 102198373
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
4-diphenylphosphoryl-1-iodo-2-methoxybenzene
CID 10884572
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
[2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium
CID 163566769
N-(3-diphenylphosphoryl-4-methoxyphenyl)acetamide
CID 3921981
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2-diphenylphosphorylphenoxy]-3-methylaniline
CID 20750532

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene?
The IUPAC name of 1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene (CID 132556763) is 1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene.
What is the SMILES notation for 1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene?
The canonical SMILES for 1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene is O=P(c1ccccc1)(c1ccccc1)c1ccc(Oc2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2P(=O)(c2ccccc2)c2ccccc2)c(P(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene?
The InChIKey is DOCHDRDLUUMFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46O5P4/c61-66(47-25-9-1-10-26-47,48-27-11-2-12-28-48)55-41-43-57(59(45-55)68(63,51-33-17-5-18-34-51)52-35-19-6-20-36-52)65-58-44-42-56(67(62,49-29-13-3-14-30-49)50-31-15-4-16-32-50)46-60(58)69(64,53-37-21-7-22-38-53)54-39-23-8-24-40-54/h1-46H.
What are the key properties of 1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene?
1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene has a molecular weight of 970.92 g/mol, XLogP of 10.04, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene is sourced from PubChem (CID 132556763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).