ethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate

C58H42Br7N3O4 — CID 71507212

IUPACethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n(-c2ccc(Br)cc2)c1CN(Cc1c(C(=O)OCC)c(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1-c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C58H42Br7N3O4/c1-3-71-57(69)53-49(67(47-29-23-44(64)24-30-47)55(37-9-17-41(61)18-10-37)51(53)35-5-13-39(59)14-6-35)33-66(46-27-21-43(63)22-28-46)34-50-54(58(70)72-4-2)52(36-7-15-40(60)16-8-36)56(38-11-19-42(62)20-12-38)68(50)48-31-25-45(65)26-32-48/h5-32H,3-4,33-34H2,1-2H3
InChIKeyQBVNJCQSGRSFOV-UHFFFAOYSA-N
MW1404.32 g/mol
LogP18.83
Rot. Bonds15

About ethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate

ethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate (PubChem CID 71507212) has the molecular formula C58H42Br7N3O4 and a molecular weight of 1404.32 g/mol. Its IUPAC name is ethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate
PubChem CID71507212
Molecular FormulaC58H42Br7N3O4
Molecular Weight1404.32 g/mol
Exact Mass1396.75
IUPAC Nameethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n(-c2ccc(Br)cc2)c1CN(Cc1c(C(=O)OCC)c(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1-c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C58H42Br7N3O4/c1-3-71-57(69)53-49(67(47-29-23-44(64)24-30-47)55(37-9-17-41(61)18-10-37)51(53)35-5-13-39(59)14-6-35)33-66(46-27-21-43(63)22-28-46)34-50-54(58(70)72-4-2)52(36-7-15-40(60)16-8-36)56(38-11-19-42(62)20-12-38)68(50)48-31-25-45(65)26-32-48/h5-32H,3-4,33-34H2,1-2H3
InChIKeyQBVNJCQSGRSFOV-UHFFFAOYSA-N
XLogP18.83
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001404.32
LogP ≤ 518.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]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

Ethyl 1-(4-bromophenyl)-2-phenyl-4,5-dihydroindole-3-carboxylate
CID 139046237
ethyl 2-[[N-[[3-ethoxycarbonyl-1-(4-methylphenyl)-4,5-diphenylpyrrol-2-yl]methyl]-4-methylanilino]methyl]-1-(4-methylphenyl)-4,5-diphenylpyrrole-3-carboxylate
CID 71507133
Ethyl 1-[4-(4-ethoxycarbonyl-2,3-dimethyl-5-phenylpyrrol-1-yl)phenyl]-4,5-dimethyl-2-phenylpyrrole-3-carboxylate
CID 102185316
Ethyl 1-(4-bromophenyl)-2-{[(4-bromophenyl)amino]-methyl}-5-(4-methylphenyl)-1 h-pyrrole-3-carboxylate
CID 127242501
Methyl 2-methyl-1,5-diphenylpyrrole-3-carboxylate
CID 139184529
Ethyl 2,6-bis(4-bromophenyl)pyridine-4-carboxylate
CID 168304527
bis(acetonitrile);bis(methyl 4-(4-bromophenyl)-2,5-diphenyl-1H-pyrrole-3-carboxylate)
CID 168327870
Ethyl 1-(4-bromophenyl)-4-(4-fluorophenyl)-2-methyl-5-(morpholin-4-ylmethyl)pyrrole-3-carboxylate
CID 10649089
Ethyl 1-(4-bromophenyl)-4-(4-fluorophenyl)-2-methyl-5-[(4-methylpiperazin-1-yl)methyl]pyrrole-3-carboxylate
CID 10791910
Dimethyl 1-[2-[3,4-bis(methoxycarbonyl)-2,5-diphenylpyrrol-1-yl]ethyl]-2,5-diphenylpyrrole-3,4-dicarboxylate
CID 355144
ethyl 5-(4-bromophenyl)-1-cyclohexyl-2-methyl-1H-pyrrole-3-carboxylate
CID 1746599
Methyl 1-benzyl-2-(4-bromophenyl)indole-3-carboxylate
CID 57412460

Frequently Asked Questions

What is the IUPAC name of ethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate?
The IUPAC name of ethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate (CID 71507212) is ethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate is CCOC(=O)c1c(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n(-c2ccc(Br)cc2)c1CN(Cc1c(C(=O)OCC)c(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1-c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of ethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate?
The InChIKey is QBVNJCQSGRSFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42Br7N3O4/c1-3-71-57(69)53-49(67(47-29-23-44(64)24-30-47)55(37-9-17-41(61)18-10-37)51(53)35-5-13-39(59)14-6-35)33-66(46-27-21-43(63)22-28-46)34-50-54(58(70)72-4-2)52(36-7-15-40(60)16-8-36)56(38-11-19-42(62)20-12-38)68(50)48-31-25-45(65)26-32-48/h5-32H,3-4,33-34H2,1-2H3.
What are the key properties of ethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate?
ethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate has a molecular weight of 1404.32 g/mol, XLogP of 18.83, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4,5-tris(4-bromophenyl)-2-[[4-bromo-N-[[1,4,5-tris(4-bromophenyl)-3-ethoxycarbonylpyrrol-2-yl]methyl]anilino]methyl]pyrrole-3-carboxylate is sourced from PubChem (CID 71507212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).