ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate

C32H23NO3 — CID 132596240

IUPACethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C(=O)c2ccccc2)n2c1ccc1c3ccccc3ccc12
InChIInChI=1S/C32H23NO3/c1-2-36-32(35)29-27-20-18-25-24-16-10-9-11-21(24)17-19-26(25)33(27)30(28(29)22-12-5-3-6-13-22)31(34)23-14-7-4-8-15-23/h3-20H,2H2,1H3
InChIKeyZFIMNCJJPLWTHN-UHFFFAOYSA-N
MW469.54 g/mol
LogP7.32
Rot. Bonds5

About ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate

ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate (PubChem CID 132596240) has the molecular formula C32H23NO3 and a molecular weight of 469.54 g/mol. Its IUPAC name is ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate
PubChem CID132596240
Molecular FormulaC32H23NO3
Molecular Weight469.54 g/mol
Exact Mass469.17
IUPAC Nameethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C(=O)c2ccccc2)n2c1ccc1c3ccccc3ccc12
InChIInChI=1S/C32H23NO3/c1-2-36-32(35)29-27-20-18-25-24-16-10-9-11-21(24)17-19-26(25)33(27)30(28(29)22-12-5-3-6-13-22)31(34)23-14-7-4-8-15-23/h3-20H,2H2,1H3
InChIKeyZFIMNCJJPLWTHN-UHFFFAOYSA-N
XLogP7.32
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate
CID 132596236
ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 132596232
ethyl 3-benzoyl-4-formyl-2-phenylpyrrolo[1,2-a]quinoline-1-carboxylate
CID 102460014
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713
ethyl 3-benzoyl-7-benzyl-2-phenylindolizine-1-carboxylate
CID 51056237
ethyl 1-benzoyl-4-benzyl-3-phenylpyrrolo[1,2-a]benzimidazole-2-carboxylate
CID 56931222
ethyl 3-benzoyl-2-(4-nitrophenyl)indolizine-1-carboxylate
CID 72701002
dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 44612996
tetraethyl octacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene-3,4,20,21-tetracarboxylate
CID 134962471
ethyl 7-benzyl-3-(4-chlorobenzoyl)-2-phenylindolizine-1-carboxylate
CID 51056238
diethyl 1-benzyl-5-methyl-3-phenylpyrrole-2,4-dicarboxylate
CID 67238833
ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate
CID 168677969

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate?
The IUPAC name of ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate (CID 132596240) is ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate?
The canonical SMILES for ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate is CCOC(=O)c1c(-c2ccccc2)c(C(=O)c2ccccc2)n2c1ccc1c3ccccc3ccc12.
What is the InChIKey of ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate?
The InChIKey is ZFIMNCJJPLWTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23NO3/c1-2-36-32(35)29-27-20-18-25-24-16-10-9-11-21(24)17-19-26(25)33(27)30(28(29)22-12-5-3-6-13-22)31(34)23-14-7-4-8-15-23/h3-20H,2H2,1H3.
What are the key properties of ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate?
ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate has a molecular weight of 469.54 g/mol, XLogP of 7.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate is sourced from PubChem (CID 132596240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).