1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione

C26H18N2O3 — CID 52947760

IUPAC1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(Oc3ccccn3)cc21
InChIInChI=1S/C26H18N2O3/c29-25-22-16-21(31-24-8-4-5-15-27-24)13-14-23(22)28(26(25)30)17-18-9-11-20(12-10-18)19-6-2-1-3-7-19/h1-16H,17H2
InChIKeyXCZLJWVDKKDPIZ-UHFFFAOYSA-N
MW406.44 g/mol
LogP5.27
Rot. Bonds5

About 1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione

1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione (PubChem CID 52947760) has the molecular formula C26H18N2O3 and a molecular weight of 406.44 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione
PubChem CID52947760
Molecular FormulaC26H18N2O3
Molecular Weight406.44 g/mol
Exact Mass406.13
IUPAC Name1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(Oc3ccccn3)cc21
InChIInChI=1S/C26H18N2O3/c29-25-22-16-21(31-24-8-4-5-15-27-24)13-14-23(22)28(26(25)30)17-18-9-11-20(12-10-18)19-6-2-1-3-7-19/h1-16H,17H2
InChIKeyXCZLJWVDKKDPIZ-UHFFFAOYSA-N
XLogP5.27
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione?
The IUPAC name of 1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione (CID 52947760) is 1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione.
What is the SMILES notation for 1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione?
The canonical SMILES for 1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione is O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(Oc3ccccn3)cc21.
What is the InChIKey of 1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione?
The InChIKey is XCZLJWVDKKDPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O3/c29-25-22-16-21(31-24-8-4-5-15-27-24)13-14-23(22)28(26(25)30)17-18-9-11-20(12-10-18)19-6-2-1-3-7-19/h1-16H,17H2.
What are the key properties of 1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione?
1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione has a molecular weight of 406.44 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione is sourced from PubChem (CID 52947760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).