[4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite

C44H44O6P2 — CID 88850568

IUPAC[4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite
SMILESCc1cccc(C)c1OP(Oc1ccc(-c2ccc(OP(Oc3c(C)cccc3C)Oc3c(C)cccc3C)cc2)cc1)Oc1c(C)cccc1C
InChIInChI=1S/C44H44O6P2/c1-29-13-9-14-30(2)41(29)47-51(48-42-31(3)15-10-16-32(42)4)45-39-25-21-37(22-26-39)38-23-27-40(28-24-38)46-52(49-43-33(5)17-11-18-34(43)6)50-44-35(7)19-12-20-36(44)8/h9-28H,1-8H3
InChIKeyWZMRKLJZGGBSFV-UHFFFAOYSA-N
MW730.78 g/mol
LogP13.35
Rot. Bonds13

About [4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite

[4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite (PubChem CID 88850568) has the molecular formula C44H44O6P2 and a molecular weight of 730.78 g/mol. Its IUPAC name is [4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite.

Molecular Properties

Compound Name[4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite
PubChem CID88850568
Molecular FormulaC44H44O6P2
Molecular Weight730.78 g/mol
Exact Mass730.26
IUPAC Name[4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite
SMILESCc1cccc(C)c1OP(Oc1ccc(-c2ccc(OP(Oc3c(C)cccc3C)Oc3c(C)cccc3C)cc2)cc1)Oc1c(C)cccc1C
InChIInChI=1S/C44H44O6P2/c1-29-13-9-14-30(2)41(29)47-51(48-42-31(3)15-10-16-32(42)4)45-39-25-21-37(22-26-39)38-23-27-40(28-24-38)46-52(49-43-33(5)17-11-18-34(43)6)50-44-35(7)19-12-20-36(44)8/h9-28H,1-8H3
InChIKeyWZMRKLJZGGBSFV-UHFFFAOYSA-N
XLogP13.35
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.78
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite?
The IUPAC name of [4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite (CID 88850568) is [4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite.
What is the SMILES notation for [4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite?
The canonical SMILES for [4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite is Cc1cccc(C)c1OP(Oc1ccc(-c2ccc(OP(Oc3c(C)cccc3C)Oc3c(C)cccc3C)cc2)cc1)Oc1c(C)cccc1C.
What is the InChIKey of [4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite?
The InChIKey is WZMRKLJZGGBSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44O6P2/c1-29-13-9-14-30(2)41(29)47-51(48-42-31(3)15-10-16-32(42)4)45-39-25-21-37(22-26-39)38-23-27-40(28-24-38)46-52(49-43-33(5)17-11-18-34(43)6)50-44-35(7)19-12-20-36(44)8/h9-28H,1-8H3.
What are the key properties of [4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite?
[4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite has a molecular weight of 730.78 g/mol, XLogP of 13.35, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-bis(2,6-dimethylphenoxy)phosphanyloxyphenyl]phenyl] bis(2,6-dimethylphenyl) phosphite is sourced from PubChem (CID 88850568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).