[2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite

C33H24N4O7P2 — CID 58931662

IUPAC[2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite
SMILESO=C(c1ccccc1OP(Oc1ccccn1)Oc1ccccn1)c1ccccc1OP(Oc1ccccn1)Oc1ccccn1
InChIInChI=1S/C33H24N4O7P2/c38-33(25-13-1-3-15-27(25)39-45(41-29-17-5-9-21-34-29)42-30-18-6-10-22-35-30)26-14-2-4-16-28(26)40-46(43-31-19-7-11-23-36-31)44-32-20-8-12-24-37-32/h1-24H
InChIKeyLGJQQCKWLHOXKT-UHFFFAOYSA-N
MW650.52 g/mol
LogP8.02
Rot. Bonds14

About [2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite

[2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite (PubChem CID 58931662) has the molecular formula C33H24N4O7P2 and a molecular weight of 650.52 g/mol. Its IUPAC name is [2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite.

Molecular Properties

Compound Name[2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite
PubChem CID58931662
Molecular FormulaC33H24N4O7P2
Molecular Weight650.52 g/mol
Exact Mass650.11
IUPAC Name[2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite
SMILESO=C(c1ccccc1OP(Oc1ccccn1)Oc1ccccn1)c1ccccc1OP(Oc1ccccn1)Oc1ccccn1
InChIInChI=1S/C33H24N4O7P2/c38-33(25-13-1-3-15-27(25)39-45(41-29-17-5-9-21-34-29)42-30-18-6-10-22-35-30)26-14-2-4-16-28(26)40-46(43-31-19-7-11-23-36-31)44-32-20-8-12-24-37-32/h1-24H
InChIKeyLGJQQCKWLHOXKT-UHFFFAOYSA-N
XLogP8.02
TPSA124.01 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500650.52
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-hydroxyphenyl)-3-phenyl-prop-2-en-1-one; 2-(2-pyridyl)pyridine; ruthenium(2+); hexafluorophosphate
CID 6481870
(E)-1-(2-hydroxyphenyl)-3-[4-[(E)-3-(2-hydroxyphenyl)-3-oxo-prop-1-enyl]phenyl]prop-2-en-1-one; 2-(2-pyridyl)pyridine; ruthenium(2+); dihexafluorophosphate
CID 11980895
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
bis((Z)-3-[2-hydroxy-3-[(Z)-3-(2-hydroxyphenyl)-3-oxidoprop-2-enoyl]phenyl]-1-(2-hydroxyphenyl)-3-oxoprop-1-en-1-olate);bis(nickel(2+));hexakis(pyridine)
CID 139128948
bis(manganese(3+));bis(5-methyl-2-oxido-3-[(Z)-1-oxido-3-oxo-3-phenylprop-1-enyl]benzoate);tetrakis(pyridine)
CID 139133070
1:1 Co-crystal of 4HBA + BPEE
CID 139144828
Dizinc;tetrakis(2-methoxycarbonylphenolate);tetrakis(pyridine);toluene
CID 139159734
bis(cobalt(2+));bis((Z)-3-[2-hydroxy-5-methyl-3-[(Z)-1-oxido-3-oxo-3-phenylprop-1-enyl]phenyl]-3-oxo-1-phenylprop-1-en-1-olate);hexakis(pyridine);toluene
CID 139195089
[2-(2-Dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-5-methoxyphenyl] dipyridin-2-yl phosphite
CID 57679457
[2-(Dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite
CID 58610931
[2-[Dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite
CID 58610967
2-(2-Dipyridin-2-yloxyphosphanyloxyphenyl)propan-2-yl dipyridin-2-yl phosphite
CID 58610995

Frequently Asked Questions

What is the IUPAC name of [2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite?
The IUPAC name of [2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite (CID 58931662) is [2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite.
What is the SMILES notation for [2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite?
The canonical SMILES for [2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite is O=C(c1ccccc1OP(Oc1ccccn1)Oc1ccccn1)c1ccccc1OP(Oc1ccccn1)Oc1ccccn1.
What is the InChIKey of [2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite?
The InChIKey is LGJQQCKWLHOXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4O7P2/c38-33(25-13-1-3-15-27(25)39-45(41-29-17-5-9-21-34-29)42-30-18-6-10-22-35-30)26-14-2-4-16-28(26)40-46(43-31-19-7-11-23-36-31)44-32-20-8-12-24-37-32/h1-24H.
What are the key properties of [2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite?
[2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite has a molecular weight of 650.52 g/mol, XLogP of 8.02, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-2-yl phosphite is sourced from PubChem (CID 58931662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).