ethyl 3,3-diphenyl-2H-indolizine-1-carboxylate

C23H21NO2 — CID 135027685

IUPACethyl 3,3-diphenyl-2H-indolizine-1-carboxylate
SMILESCCOC(=O)C1=C2C=CC=CN2C(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C23H21NO2/c1-2-26-22(25)20-17-23(18-11-5-3-6-12-18,19-13-7-4-8-14-19)24-16-10-9-15-21(20)24/h3-16H,2,17H2,1H3
InChIKeyZHBPQCSHVYPPGD-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.54
Rot. Bonds4

About ethyl 3,3-diphenyl-2H-indolizine-1-carboxylate

ethyl 3,3-diphenyl-2H-indolizine-1-carboxylate (PubChem CID 135027685) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl 3,3-diphenyl-2H-indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3,3-diphenyl-2H-indolizine-1-carboxylate
PubChem CID135027685
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Nameethyl 3,3-diphenyl-2H-indolizine-1-carboxylate
SMILESCCOC(=O)C1=C2C=CC=CN2C(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C23H21NO2/c1-2-26-22(25)20-17-23(18-11-5-3-6-12-18,19-13-7-4-8-14-19)24-16-10-9-15-21(20)24/h3-16H,2,17H2,1H3
InChIKeyZHBPQCSHVYPPGD-UHFFFAOYSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate
CID 71508561
ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate
CID 71508596
Ethyl 4,6-diphenyl-2-propyl-1,4-dihydropyridine-3-carboxylate
CID 90656509
diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 1015745
ethyl 1-(4-fluorophenyl)-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
CID 11439125
ethyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate
CID 45483899
methyl 2-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 45483871
methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 45483875
ethyl 2-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 45483891
ethyl 1-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylate
CID 71508519
methyl 1-benzyl-4-(4-methylphenyl)-4H-pyridine-3-carboxylate
CID 71508520
ethyl 1-benzyl-4-(4-methylphenyl)-4H-pyridine-3-carboxylate
CID 71508523

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-diphenyl-2H-indolizine-1-carboxylate?
The IUPAC name of ethyl 3,3-diphenyl-2H-indolizine-1-carboxylate (CID 135027685) is ethyl 3,3-diphenyl-2H-indolizine-1-carboxylate.
What is the SMILES notation for ethyl 3,3-diphenyl-2H-indolizine-1-carboxylate?
The canonical SMILES for ethyl 3,3-diphenyl-2H-indolizine-1-carboxylate is CCOC(=O)C1=C2C=CC=CN2C(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of ethyl 3,3-diphenyl-2H-indolizine-1-carboxylate?
The InChIKey is ZHBPQCSHVYPPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-2-26-22(25)20-17-23(18-11-5-3-6-12-18,19-13-7-4-8-14-19)24-16-10-9-15-21(20)24/h3-16H,2,17H2,1H3.
What are the key properties of ethyl 3,3-diphenyl-2H-indolizine-1-carboxylate?
ethyl 3,3-diphenyl-2H-indolizine-1-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-diphenyl-2H-indolizine-1-carboxylate is sourced from PubChem (CID 135027685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).