[6-(2-dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite

C36H30N4O9P2 — CID 58640371

IUPAC[6-(2-dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite
SMILESCOc1ccc(C(=O)c2ccc(OC)c(C)c2OP(Oc2ccccn2)Oc2ccccn2)c(OP(Oc2ccccn2)Oc2ccccn2)c1
InChIInChI=1S/C36H30N4O9P2/c1-25-29(43-3)19-18-28(36(25)49-51(47-33-14-6-10-22-39-33)48-34-15-7-11-23-40-34)35(41)27-17-16-26(42-2)24-30(27)44-50(45-31-12-4-8-20-37-31)46-32-13-5-9-21-38-32/h4-24H,1-3H3
InChIKeyFRWKVLRLTDFSMC-UHFFFAOYSA-N
MW724.60 g/mol
LogP8.35
Rot. Bonds16

About [6-(2-dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite

[6-(2-dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite (PubChem CID 58640371) has the molecular formula C36H30N4O9P2 and a molecular weight of 724.60 g/mol. Its IUPAC name is [6-(2-dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite.

Molecular Properties

Compound Name[6-(2-dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite
PubChem CID58640371
Molecular FormulaC36H30N4O9P2
Molecular Weight724.60 g/mol
Exact Mass724.15
IUPAC Name[6-(2-dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite
SMILESCOc1ccc(C(=O)c2ccc(OC)c(C)c2OP(Oc2ccccn2)Oc2ccccn2)c(OP(Oc2ccccn2)Oc2ccccn2)c1
InChIInChI=1S/C36H30N4O9P2/c1-25-29(43-3)19-18-28(36(25)49-51(47-33-14-6-10-22-39-33)48-34-15-7-11-23-40-34)35(41)27-17-16-26(42-2)24-30(27)44-50(45-31-12-4-8-20-37-31)46-32-13-5-9-21-38-32/h4-24H,1-3H3
InChIKeyFRWKVLRLTDFSMC-UHFFFAOYSA-N
XLogP8.35
TPSA142.47 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500724.60
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite?
The IUPAC name of [6-(2-dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite (CID 58640371) is [6-(2-dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite.
What is the SMILES notation for [6-(2-dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite?
The canonical SMILES for [6-(2-dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite is COc1ccc(C(=O)c2ccc(OC)c(C)c2OP(Oc2ccccn2)Oc2ccccn2)c(OP(Oc2ccccn2)Oc2ccccn2)c1.
What is the InChIKey of [6-(2-dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite?
The InChIKey is FRWKVLRLTDFSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N4O9P2/c1-25-29(43-3)19-18-28(36(25)49-51(47-33-14-6-10-22-39-33)48-34-15-7-11-23-40-34)35(41)27-17-16-26(42-2)24-30(27)44-50(45-31-12-4-8-20-37-31)46-32-13-5-9-21-38-32/h4-24H,1-3H3.
What are the key properties of [6-(2-dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite?
[6-(2-dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite has a molecular weight of 724.60 g/mol, XLogP of 8.35, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-dipyridin-2-yloxyphosphanyloxy-4-methoxybenzoyl)-3-methoxy-2-methylphenyl] dipyridin-2-yl phosphite is sourced from PubChem (CID 58640371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).