[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite

C33H24N4O7P2 — CID 58931765

IUPAC[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite
SMILESO=C(c1ccccc1OP(Oc1cccnc1)Oc1cccnc1)c1ccccc1OP(Oc1cccnc1)Oc1cccnc1
InChIInChI=1S/C33H24N4O7P2/c38-33(29-13-1-3-15-31(29)43-45(39-25-9-5-17-34-21-25)40-26-10-6-18-35-22-26)30-14-2-4-16-32(30)44-46(41-27-11-7-19-36-23-27)42-28-12-8-20-37-24-28/h1-24H
InChIKeyIDDRSNSENOEKAK-UHFFFAOYSA-N
MW650.52 g/mol
LogP8.02
Rot. Bonds14

About [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite

[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite (PubChem CID 58931765) has the molecular formula C33H24N4O7P2 and a molecular weight of 650.52 g/mol. Its IUPAC name is [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite.

Molecular Properties

Compound Name[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite
PubChem CID58931765
Molecular FormulaC33H24N4O7P2
Molecular Weight650.52 g/mol
Exact Mass650.11
IUPAC Name[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite
SMILESO=C(c1ccccc1OP(Oc1cccnc1)Oc1cccnc1)c1ccccc1OP(Oc1cccnc1)Oc1cccnc1
InChIInChI=1S/C33H24N4O7P2/c38-33(29-13-1-3-15-31(29)43-45(39-25-9-5-17-34-21-25)40-26-10-6-18-35-22-26)30-14-2-4-16-32(30)44-46(41-27-11-7-19-36-23-27)42-28-12-8-20-37-24-28/h1-24H
InChIKeyIDDRSNSENOEKAK-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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Frequently Asked Questions

What is the IUPAC name of [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite?
The IUPAC name of [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite (CID 58931765) is [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite.
What is the SMILES notation for [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite?
The canonical SMILES for [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite is O=C(c1ccccc1OP(Oc1cccnc1)Oc1cccnc1)c1ccccc1OP(Oc1cccnc1)Oc1cccnc1.
What is the InChIKey of [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite?
The InChIKey is IDDRSNSENOEKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4O7P2/c38-33(29-13-1-3-15-31(29)43-45(39-25-9-5-17-34-21-25)40-26-10-6-18-35-22-26)30-14-2-4-16-32(30)44-46(41-27-11-7-19-36-23-27)42-28-12-8-20-37-24-28/h1-24H.
What are the key properties of [2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite?
[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-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-3-yloxyphosphanyloxybenzoyl)phenyl] dipyridin-3-yl phosphite is sourced from PubChem (CID 58931765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).