2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate

C34H30N2O3 — CID 11005771

IUPAC2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate
SMILESCC(=O)OCCc1c(-c2ccccc2)c(-c2c(-c3ccccc3)c(CCO)c3ccccn23)n2ccccc12
InChIInChI=1S/C34H30N2O3/c1-24(38)39-23-19-28-30-17-9-11-21-36(30)34(32(28)26-14-6-3-7-15-26)33-31(25-12-4-2-5-13-25)27(18-22-37)29-16-8-10-20-35(29)33/h2-17,20-21,37H,18-19,22-23H2,1H3
InChIKeyQRXWMMVIGFNKSY-UHFFFAOYSA-N
MW514.63 g/mol
LogP6.83
Rot. Bonds8

About 2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate

2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate (PubChem CID 11005771) has the molecular formula C34H30N2O3 and a molecular weight of 514.63 g/mol. Its IUPAC name is 2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate
PubChem CID11005771
Molecular FormulaC34H30N2O3
Molecular Weight514.63 g/mol
Exact Mass514.23
IUPAC Name2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate
SMILESCC(=O)OCCc1c(-c2ccccc2)c(-c2c(-c3ccccc3)c(CCO)c3ccccn23)n2ccccc12
InChIInChI=1S/C34H30N2O3/c1-24(38)39-23-19-28-30-17-9-11-21-36(30)34(32(28)26-14-6-3-7-15-26)33-31(25-12-4-2-5-13-25)27(18-22-37)29-16-8-10-20-35(29)33/h2-17,20-21,37H,18-19,22-23H2,1H3
InChIKeyQRXWMMVIGFNKSY-UHFFFAOYSA-N
XLogP6.83
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-[1-(2-acetyloxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate
CID 10940674
(4-oxo-1,3-diphenylquinolizin-2-yl) acetate
CID 110273347
ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate
CID 3261748
2-phenylethyl acetate
CID 7654
2-[(3-bromo-2,4,5-triphenylpyrrol-1-yl)methoxy]ethyl acetate
CID 512927
ethyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982589
acetic acid;2-phenylethyl acetate
CID 174791962
2-(4-phenylphenoxy)ethyl acetate
CID 101023594
ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate
CID 71764017
2-azulen-6-ylethyl acetate
CID 593065
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide
CID 157145704

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate?
The IUPAC name of 2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate (CID 11005771) is 2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate?
The canonical SMILES for 2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate is CC(=O)OCCc1c(-c2ccccc2)c(-c2c(-c3ccccc3)c(CCO)c3ccccn23)n2ccccc12.
What is the InChIKey of 2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate?
The InChIKey is QRXWMMVIGFNKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2O3/c1-24(38)39-23-19-28-30-17-9-11-21-36(30)34(32(28)26-14-6-3-7-15-26)33-31(25-12-4-2-5-13-25)27(18-22-37)29-16-8-10-20-35(29)33/h2-17,20-21,37H,18-19,22-23H2,1H3.
What are the key properties of 2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate?
2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate has a molecular weight of 514.63 g/mol, XLogP of 6.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-hydroxyethyl)-2-phenylindolizin-3-yl]-2-phenylindolizin-1-yl]ethyl acetate is sourced from PubChem (CID 11005771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).