diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate

C22H21NO4 — CID 10784928

IUPACdiethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate
SMILESCCOC(=O)c1ccc(C(=O)OCC)n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21NO4/c1-3-26-21(24)19-14-15-20(22(25)27-4-2)23(19)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3
InChIKeyAWSVAOMILGDJTH-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.50
Rot. Bonds6

About diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate

diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate (PubChem CID 10784928) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate
PubChem CID10784928
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Namediethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate
SMILESCCOC(=O)c1ccc(C(=O)OCC)n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21NO4/c1-3-26-21(24)19-14-15-20(22(25)27-4-2)23(19)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3
InChIKeyAWSVAOMILGDJTH-UHFFFAOYSA-N
XLogP4.50
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 2-methyl-3-phenylimidazole-4-carboxylate
CID 134397442
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
diethyl 1-(4-bromophenyl)-2-methyl-5-phenylpyrrole-3,4-dicarboxylate
CID 11525344
ethyl 4-[4-(N-[4-(4-ethoxycarbonylphenyl)phenyl]-4-phenylanilino)phenyl]benzoate
CID 14669998
ethyl acetate;1-methyl-4-phenylbenzene
CID 54016895
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
CID 102185323
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate
CID 132546432
diethyl 1-(4-ethoxycarbonylphenyl)-2-phenyl-5-propylpyrrole-3,4-dicarboxylate
CID 101336364

Frequently Asked Questions

What is the IUPAC name of diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate?
The IUPAC name of diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate (CID 10784928) is diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate.
What is the SMILES notation for diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate?
The canonical SMILES for diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate is CCOC(=O)c1ccc(C(=O)OCC)n1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate?
The InChIKey is AWSVAOMILGDJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-3-26-21(24)19-14-15-20(22(25)27-4-2)23(19)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3.
What are the key properties of diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate?
diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate has a molecular weight of 363.41 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate is sourced from PubChem (CID 10784928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).