[6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite

C35H28N4O8P2 — CID 58640365

IUPAC[6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite
SMILESCOc1ccc(C(=O)c2ccccc2OP(Oc2ccccn2)Oc2ccccn2)c(OP(Oc2ccccn2)Oc2ccccn2)c1C
InChIInChI=1S/C35H28N4O8P2/c1-25-28(41-2)20-19-27(35(25)47-49(45-32-17-7-11-23-38-32)46-33-18-8-12-24-39-33)34(40)26-13-3-4-14-29(26)42-48(43-30-15-5-9-21-36-30)44-31-16-6-10-22-37-31/h3-24H,1-2H3
InChIKeyVIAQOUBMFQIRBJ-UHFFFAOYSA-N
MW694.58 g/mol
LogP8.34
Rot. Bonds15

About [6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite

[6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite (PubChem CID 58640365) has the molecular formula C35H28N4O8P2 and a molecular weight of 694.58 g/mol. Its IUPAC name is [6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite.

Molecular Properties

Compound Name[6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite
PubChem CID58640365
Molecular FormulaC35H28N4O8P2
Molecular Weight694.58 g/mol
Exact Mass694.14
IUPAC Name[6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite
SMILESCOc1ccc(C(=O)c2ccccc2OP(Oc2ccccn2)Oc2ccccn2)c(OP(Oc2ccccn2)Oc2ccccn2)c1C
InChIInChI=1S/C35H28N4O8P2/c1-25-28(41-2)20-19-27(35(25)47-49(45-32-17-7-11-23-38-32)46-33-18-8-12-24-39-33)34(40)26-13-3-4-14-29(26)42-48(43-30-15-5-9-21-36-30)44-31-16-6-10-22-37-31/h3-24H,1-2H3
InChIKeyVIAQOUBMFQIRBJ-UHFFFAOYSA-N
XLogP8.34
TPSA133.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500694.58
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite?
The IUPAC name of [6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite (CID 58640365) is [6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite.
What is the SMILES notation for [6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite?
The canonical SMILES for [6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite is COc1ccc(C(=O)c2ccccc2OP(Oc2ccccn2)Oc2ccccn2)c(OP(Oc2ccccn2)Oc2ccccn2)c1C.
What is the InChIKey of [6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite?
The InChIKey is VIAQOUBMFQIRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N4O8P2/c1-25-28(41-2)20-19-27(35(25)47-49(45-32-17-7-11-23-38-32)46-33-18-8-12-24-39-33)34(40)26-13-3-4-14-29(26)42-48(43-30-15-5-9-21-36-30)44-31-16-6-10-22-37-31/h3-24H,1-2H3.
What are the key properties of [6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite?
[6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite has a molecular weight of 694.58 g/mol, XLogP of 8.34, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-dipyridin-2-yloxyphosphanyloxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite is sourced from PubChem (CID 58640365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).