2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite

C29H26N4O6P2 — CID 58610995

IUPAC2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite
SMILESCC(C)(OP(Oc1ccccn1)Oc1ccccn1)c1ccccc1OP(Oc1ccccn1)Oc1ccccn1
InChIInChI=1S/C29H26N4O6P2/c1-29(2,39-41(37-27-17-7-11-21-32-27)38-28-18-8-12-22-33-28)23-13-3-4-14-24(23)34-40(35-25-15-5-9-19-30-25)36-26-16-6-10-20-31-26/h3-22H,1-2H3
InChIKeyXTDJPIFBBDCICV-UHFFFAOYSA-N
MW588.50 g/mol
LogP7.67
Rot. Bonds13

About 2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite

2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite (PubChem CID 58610995) has the molecular formula C29H26N4O6P2 and a molecular weight of 588.50 g/mol. Its IUPAC name is 2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite.

Molecular Properties

Compound Name2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite
PubChem CID58610995
Molecular FormulaC29H26N4O6P2
Molecular Weight588.50 g/mol
Exact Mass588.13
IUPAC Name2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite
SMILESCC(C)(OP(Oc1ccccn1)Oc1ccccn1)c1ccccc1OP(Oc1ccccn1)Oc1ccccn1
InChIInChI=1S/C29H26N4O6P2/c1-29(2,39-41(37-27-17-7-11-21-32-27)38-28-18-8-12-22-33-28)23-13-3-4-14-24(23)34-40(35-25-15-5-9-19-30-25)36-26-16-6-10-20-31-26/h3-22H,1-2H3
InChIKeyXTDJPIFBBDCICV-UHFFFAOYSA-N
XLogP7.67
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.50
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri-phosphazene
CID 15873624
1,2,2,4,5,6-Hexakis[(4-methyl-2-pyridinyl)oxy]-1,3,5-triaza-2lambda5,4,6-triphosphacyclohex-2-ene
CID 91201021
4,4,6,6-Tetrapyridin-2-yloxyspiro[1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,6'-benzo[d][1,3,2]benzodioxaphosphepine]
CID 101450386
4,4,6,6-Tetrapyridin-3-yloxyspiro[1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,6'-benzo[d][1,3,2]benzodioxaphosphepine]
CID 102199832
[mu-1,2-Disalicyloylhydrazine(2-)-kappa^3^N,O,O':kappa^3^N',O'',O''']bis[tripyridinenickel(II)] pyridine disolvate
CID 139072730
(5) (Cd(DMP)2(py)2)2
CID 139129333
(10) Dy(DMP)3(py)3
CID 139129337
Bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine)
CID 139130092
Bis(neodymium(3+));tetrakis(pyridine);toluene;hexakis(2,4,6-trimethylphenolate)
CID 139133345
Iron(2+);bis(2-methylphenolate);tris(pyridine)
CID 139135842
Tris(iron(2+));hexakis(2-propan-2-ylphenolate);nonakis(pyridine)
CID 139135843
Hexakis(2-tert-butylphenolate);tris(iron(2+));nonakis(pyridine)
CID 139135844

Frequently Asked Questions

What is the IUPAC name of 2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite?
The IUPAC name of 2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite (CID 58610995) is 2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite.
What is the SMILES notation for 2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite?
The canonical SMILES for 2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite is CC(C)(OP(Oc1ccccn1)Oc1ccccn1)c1ccccc1OP(Oc1ccccn1)Oc1ccccn1.
What is the InChIKey of 2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite?
The InChIKey is XTDJPIFBBDCICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O6P2/c1-29(2,39-41(37-27-17-7-11-21-32-27)38-28-18-8-12-22-33-28)23-13-3-4-14-24(23)34-40(35-25-15-5-9-19-30-25)36-26-16-6-10-20-31-26/h3-22H,1-2H3.
What are the key properties of 2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite?
2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite has a molecular weight of 588.50 g/mol, XLogP of 7.67, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite is sourced from PubChem (CID 58610995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).