[2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite

C39H30N4O6P2 — CID 58610897

IUPAC[2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite
SMILESc1ccc(C(OP(Oc2cccnc2)Oc2cccnc2)(c2ccccc2)c2ccccc2OP(Oc2cccnc2)Oc2cccnc2)cc1
InChIInChI=1S/C39H30N4O6P2/c1-3-13-31(14-4-1)39(32-15-5-2-6-16-32,49-51(46-35-19-11-25-42-29-35)47-36-20-12-26-43-30-36)37-21-7-8-22-38(37)48-50(44-33-17-9-23-40-27-33)45-34-18-10-24-41-28-34/h1-30H
InChIKeyAHHUCTXRTMRKRE-UHFFFAOYSA-N
MW712.64 g/mol
LogP9.72
Rot. Bonds15

About [2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite

[2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite (PubChem CID 58610897) has the molecular formula C39H30N4O6P2 and a molecular weight of 712.64 g/mol. Its IUPAC name is [2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite.

Molecular Properties

Compound Name[2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite
PubChem CID58610897
Molecular FormulaC39H30N4O6P2
Molecular Weight712.64 g/mol
Exact Mass712.16
IUPAC Name[2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite
SMILESc1ccc(C(OP(Oc2cccnc2)Oc2cccnc2)(c2ccccc2)c2ccccc2OP(Oc2cccnc2)Oc2cccnc2)cc1
InChIInChI=1S/C39H30N4O6P2/c1-3-13-31(14-4-1)39(32-15-5-2-6-16-32,49-51(46-35-19-11-25-42-29-35)47-36-20-12-26-43-30-36)37-21-7-8-22-38(37)48-50(44-33-17-9-23-40-27-33)45-34-18-10-24-41-28-34/h1-30H
InChIKeyAHHUCTXRTMRKRE-UHFFFAOYSA-N
XLogP9.72
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.64
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', '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
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
CID 102199833
CID 102199833
(5) (Cd(DMP)2(py)2)2
CID 139129333
(10) Dy(DMP)3(py)3
CID 139129337
Tris(iron(2+));hexakis(2-propan-2-ylphenolate);nonakis(pyridine)
CID 139135843
Hexakis(2-tert-butylphenolate);tris(iron(2+));nonakis(pyridine)
CID 139135844
Tetrakis(2,6-ditert-butylphenolate);bis(iron(2+));tetrakis(pyridine)
CID 139135847
Spiro(tetrakis-3-pyridyloxy)cyclotriphosphazene
CID 139160216
Cobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine)
CID 139165759
NioPP2Py3
CID 139170298

Frequently Asked Questions

What is the IUPAC name of [2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite?
The IUPAC name of [2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite (CID 58610897) is [2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite.
What is the SMILES notation for [2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite?
The canonical SMILES for [2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite is c1ccc(C(OP(Oc2cccnc2)Oc2cccnc2)(c2ccccc2)c2ccccc2OP(Oc2cccnc2)Oc2cccnc2)cc1.
What is the InChIKey of [2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite?
The InChIKey is AHHUCTXRTMRKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N4O6P2/c1-3-13-31(14-4-1)39(32-15-5-2-6-16-32,49-51(46-35-19-11-25-42-29-35)47-36-20-12-26-43-30-36)37-21-7-8-22-38(37)48-50(44-33-17-9-23-40-27-33)45-34-18-10-24-41-28-34/h1-30H.
What are the key properties of [2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite?
[2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite has a molecular weight of 712.64 g/mol, XLogP of 9.72, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[dipyridin-3-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-3-yl phosphite is sourced from PubChem (CID 58610897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).