(2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one

C26H23NO2 — CID 66561554

IUPAC(2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1C(c2ccccc2)=C(c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H](O)CN12
InChIInChI=1S/C26H23NO2/c28-23-15-22-16-24(20-13-11-19(12-14-20)18-7-3-1-4-8-18)25(26(29)27(22)17-23)21-9-5-2-6-10-21/h1-14,22-23,28H,15-17H2/t22-,23-/m1/s1
InChIKeySHURKGBPFAZXIA-DHIUTWEWSA-N
MW381.48 g/mol
LogP4.63
Rot. Bonds3

About (2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one

(2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one (PubChem CID 66561554) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
PubChem CID66561554
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name(2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1C(c2ccccc2)=C(c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H](O)CN12
InChIInChI=1S/C26H23NO2/c28-23-15-22-16-24(20-13-11-19(12-14-20)18-7-3-1-4-8-18)25(26(29)27(22)17-23)21-9-5-2-6-10-21/h1-14,22-23,28H,15-17H2/t22-,23-/m1/s1
InChIKeySHURKGBPFAZXIA-DHIUTWEWSA-N
XLogP4.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The IUPAC name of (2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one (CID 66561554) is (2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one.
What is the SMILES notation for (2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The canonical SMILES for (2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one is O=C1C(c2ccccc2)=C(c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H](O)CN12.
What is the InChIKey of (2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The InChIKey is SHURKGBPFAZXIA-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H23NO2/c28-23-15-22-16-24(20-13-11-19(12-14-20)18-7-3-1-4-8-18)25(26(29)27(22)17-23)21-9-5-2-6-10-21/h1-14,22-23,28H,15-17H2/t22-,23-/m1/s1.
What are the key properties of (2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
(2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one has a molecular weight of 381.48 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8aS)-2-hydroxy-6-phenyl-7-(4-phenylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one is sourced from PubChem (CID 66561554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).