1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene

C43H43O5P3 — CID 15910881

IUPAC1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)c2ccccc2OCP(C)(=O)COc2ccccc2P(=O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C43H43O5P3/c1-32-14-22-36(23-15-32)50(45,37-24-16-33(2)17-25-37)42-12-8-6-10-40(42)47-30-49(5,44)31-48-41-11-7-9-13-43(41)51(46,38-26-18-34(3)19-27-38)39-28-20-35(4)21-29-39/h6-29H,30-31H2,1-5H3
InChIKeyRCOWWTIFXOGSKC-UHFFFAOYSA-N
MW732.73 g/mol
LogP8.56
Rot. Bonds12

About 1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene

1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene (PubChem CID 15910881) has the molecular formula C43H43O5P3 and a molecular weight of 732.73 g/mol. Its IUPAC name is 1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene.

Molecular Properties

Compound Name1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene
PubChem CID15910881
Molecular FormulaC43H43O5P3
Molecular Weight732.73 g/mol
Exact Mass732.23
IUPAC Name1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)c2ccccc2OCP(C)(=O)COc2ccccc2P(=O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C43H43O5P3/c1-32-14-22-36(23-15-32)50(45,37-24-16-33(2)17-25-37)42-12-8-6-10-40(42)47-30-49(5,44)31-48-41-11-7-9-13-43(41)51(46,38-26-18-34(3)19-27-38)39-28-20-35(4)21-29-39/h6-29H,30-31H2,1-5H3
InChIKeyRCOWWTIFXOGSKC-UHFFFAOYSA-N
XLogP8.56
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.73
LogP ≤ 58.56
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

1,2-bis[bis(4-methylphenyl)phosphoryl]benzene
CID 139462616
1-(2-diphenylphosphorylphenoxy)-3-(4-methylphenyl)sulfonylpropan-2-one
CID 16761278
1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane
CID 144799075
1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene
CID 20750497
2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine
CID 10748478
1-bis[2-(methoxymethoxy)phenyl]phosphoryl-2-(methoxymethoxy)benzene
CID 84820824
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
[2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane
CID 102519620
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
1-dimethylphosphoryl-2-methoxybenzene
CID 90152243
1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene
CID 19587731
1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene
CID 15616106

Frequently Asked Questions

What is the IUPAC name of 1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene?
The IUPAC name of 1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene (CID 15910881) is 1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene.
What is the SMILES notation for 1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene?
The canonical SMILES for 1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene is Cc1ccc(P(=O)(c2ccc(C)cc2)c2ccccc2OCP(C)(=O)COc2ccccc2P(=O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene?
The InChIKey is RCOWWTIFXOGSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43O5P3/c1-32-14-22-36(23-15-32)50(45,37-24-16-33(2)17-25-37)42-12-8-6-10-40(42)47-30-49(5,44)31-48-41-11-7-9-13-43(41)51(46,38-26-18-34(3)19-27-38)39-28-20-35(4)21-29-39/h6-29H,30-31H2,1-5H3.
What are the key properties of 1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene?
1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene has a molecular weight of 732.73 g/mol, XLogP of 8.56, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene is sourced from PubChem (CID 15910881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).