ethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate

C38H32N2O4 — CID 139095180

IUPACethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(-c2[nH]c(-c3ccccc3)c(-c3ccccc3)c2C(=O)OCC)[nH]c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C38H32N2O4/c1-3-43-37(41)31-29(25-17-9-5-10-18-25)33(27-21-13-7-14-22-27)39-35(31)36-32(38(42)44-4-2)30(26-19-11-6-12-20-26)34(40-36)28-23-15-8-16-24-28/h5-24,39-40H,3-4H2,1-2H3
InChIKeyJQIMFZWAMLGQIM-UHFFFAOYSA-N
MW580.68 g/mol
LogP9.03
Rot. Bonds9

About ethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate

ethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate (PubChem CID 139095180) has the molecular formula C38H32N2O4 and a molecular weight of 580.68 g/mol. Its IUPAC name is ethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate
PubChem CID139095180
Molecular FormulaC38H32N2O4
Molecular Weight580.68 g/mol
Exact Mass580.24
IUPAC Nameethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(-c2[nH]c(-c3ccccc3)c(-c3ccccc3)c2C(=O)OCC)[nH]c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C38H32N2O4/c1-3-43-37(41)31-29(25-17-9-5-10-18-25)33(27-21-13-7-14-22-27)39-35(31)36-32(38(42)44-4-2)30(26-19-11-6-12-20-26)34(40-36)28-23-15-8-16-24-28/h5-24,39-40H,3-4H2,1-2H3
InChIKeyJQIMFZWAMLGQIM-UHFFFAOYSA-N
XLogP9.03
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.68
LogP ≤ 59.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate 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

methyl 2,5-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate
CID 3423
Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate
CID 253134
ethyl 6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-phenylpyridine-3-carboxylate
CID 90644882
methyl 2,5-dimethyl-4-[2-(2-phenylethyl)benzoyl]-1H-pyrrole-3-carboxylate
CID 10361221
ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate
CID 90644881
Methyl 4-([1,1'-biphenyl]-2-carbonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 17806983
methyl 2,5-diphenyl-1H-pyrrole-3-carboxylate
CID 328426
dimethyl 2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate
CID 643578
methyl 2,5-dimethyl-4-[2-(3-phenylpropyl)benzoyl]-1H-pyrrole-3-carboxylate
CID 44382795
Diethyl 5,5'-(phenylmethanediyl)bis(2,4-dimethyl-1h-pyrrole-3-carboxylate)
CID 224723
Ethyl 2,4-dimethyl-5-phenyl-1h-pyrrole-3-carboxylate
CID 291174
Ethyl 2,5-diphenyl-1H-pyrrole-3-carboxylate
CID 328419

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate (CID 139095180) is ethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(-c2[nH]c(-c3ccccc3)c(-c3ccccc3)c2C(=O)OCC)[nH]c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate?
The InChIKey is JQIMFZWAMLGQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2O4/c1-3-43-37(41)31-29(25-17-9-5-10-18-25)33(27-21-13-7-14-22-27)39-35(31)36-32(38(42)44-4-2)30(26-19-11-6-12-20-26)34(40-36)28-23-15-8-16-24-28/h5-24,39-40H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate?
ethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate has a molecular weight of 580.68 g/mol, XLogP of 9.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethoxycarbonyl-4,5-diphenyl-1H-pyrrol-2-yl)-4,5-diphenyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 139095180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).