2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione

C40H30N2O6 — CID 11388071

IUPAC2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1cc(=O)c(OC(c2ccccc2)c2ccccc2)cn1OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H30N2O6/c43-35-25-32(27-46-42-39(44)33-23-13-14-24-34(33)40(42)45)41(48-38(30-19-9-3-10-20-30)31-21-11-4-12-22-31)26-36(35)47-37(28-15-5-1-6-16-28)29-17-7-2-8-18-29/h1-26,37-38H,27H2
InChIKeyXPMAYZYGUNRHJA-UHFFFAOYSA-N
MW634.69 g/mol
LogP6.96
Rot. Bonds11

About 2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione

2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione (PubChem CID 11388071) has the molecular formula C40H30N2O6 and a molecular weight of 634.69 g/mol. Its IUPAC name is 2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione
PubChem CID11388071
Molecular FormulaC40H30N2O6
Molecular Weight634.69 g/mol
Exact Mass634.21
IUPAC Name2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1cc(=O)c(OC(c2ccccc2)c2ccccc2)cn1OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H30N2O6/c43-35-25-32(27-46-42-39(44)33-23-13-14-24-34(33)40(42)45)41(48-38(30-19-9-3-10-20-30)31-21-11-4-12-22-31)26-36(35)47-37(28-15-5-1-6-16-28)29-17-7-2-8-18-29/h1-26,37-38H,27H2
InChIKeyXPMAYZYGUNRHJA-UHFFFAOYSA-N
XLogP6.96
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.69
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione (CID 11388071) is 2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCc1cc(=O)c(OC(c2ccccc2)c2ccccc2)cn1OC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione?
The InChIKey is XPMAYZYGUNRHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2O6/c43-35-25-32(27-46-42-39(44)33-23-13-14-24-34(33)40(42)45)41(48-38(30-19-9-3-10-20-30)31-21-11-4-12-22-31)26-36(35)47-37(28-15-5-1-6-16-28)29-17-7-2-8-18-29/h1-26,37-38H,27H2.
What are the key properties of 2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione?
2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione has a molecular weight of 634.69 g/mol, XLogP of 6.96, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 11388071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).