3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one

C25H18N2O — CID 162662753

IUPAC3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one
SMILESO=C1C=C(c2ccc(-c3ccccc3)cc2)N2C=CC=CC12c1ccccn1
InChIInChI=1S/C25H18N2O/c28-24-18-22(21-13-11-20(12-14-21)19-8-2-1-3-9-19)27-17-7-5-15-25(24,27)23-10-4-6-16-26-23/h1-18H
InChIKeyMFHUNEGMJUVGLJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.95
Rot. Bonds3

About 3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one

3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one (PubChem CID 162662753) has the molecular formula C25H18N2O and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one.

Molecular Properties

Compound Name3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one
PubChem CID162662753
Molecular FormulaC25H18N2O
Molecular Weight362.43 g/mol
Exact Mass362.14
IUPAC Name3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one
SMILESO=C1C=C(c2ccc(-c3ccccc3)cc2)N2C=CC=CC12c1ccccn1
InChIInChI=1S/C25H18N2O/c28-24-18-22(21-13-11-20(12-14-21)19-8-2-1-3-9-19)27-17-7-5-15-25(24,27)23-10-4-6-16-26-23/h1-18H
InChIKeyMFHUNEGMJUVGLJ-UHFFFAOYSA-N
XLogP4.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one?
The IUPAC name of 3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one (CID 162662753) is 3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one.
What is the SMILES notation for 3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one?
The canonical SMILES for 3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one is O=C1C=C(c2ccc(-c3ccccc3)cc2)N2C=CC=CC12c1ccccn1.
What is the InChIKey of 3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one?
The InChIKey is MFHUNEGMJUVGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O/c28-24-18-22(21-13-11-20(12-14-21)19-8-2-1-3-9-19)27-17-7-5-15-25(24,27)23-10-4-6-16-26-23/h1-18H.
What are the key properties of 3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one?
3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one has a molecular weight of 362.43 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-8a-pyridin-2-ylindolizin-1-one is sourced from PubChem (CID 162662753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).