ethyl 5-[5-[3,4-diethyl-5-(3,4,5-triethyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate

C37H54N4O2 — CID 23591114

About ethyl 5-[5-[3,4-diethyl-5-(3,4,5-triethyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate

ethyl 5-[5-[3,4-diethyl-5-(3,4,5-triethyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate (PubChem CID 23591114) has the molecular formula C37H54N4O2 and a molecular weight of 586.87 g/mol. Its IUPAC name is ethyl 5-[5-[3,4-diethyl-5-(3,4,5-triethyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[5-[3,4-diethyl-5-(3,4,5-triethyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate
• PubChem CID: 23591114
• Molecular Formula: C37H54N4O2
• Molecular Weight: 586.87 g/mol
• Exact Mass: 586.42
• IUPAC Name: ethyl 5-[5-[3,4-diethyl-5-(3,4,5-triethyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate
• SMILES: CCOC(=O)c1[nH]c(-c2[nH]c(-c3[nH]c(-c4[nH]c(CC)c(CC)c4CC)c(CC)c3CC)c(CC)c2CC)c(CC)c1CC
• InChI: InChI=1S/C37H54N4O2/c1-11-21-22(12-2)30(38-29(21)19-9)31-23(13-3)24(14-4)32(39-31)33-25(15-5)26(16-6)34(40-33)35-27(17-7)28(18-8)36(41-35)37(42)43-20-10/h38-41H,11-20H2,1-10H3
• InChIKey: JECUFDUZESLMLH-UHFFFAOYSA-N
• XLogP: 9.24
• TPSA: 89.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.87
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-[3,4-diethyl-5-(3,4,5-triethyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate?

The IUPAC name of ethyl 5-[5-[3,4-diethyl-5-(3,4,5-triethyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate (CID 23591114) is ethyl 5-[5-[3,4-diethyl-5-(3,4,5-triethyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate.

What is the SMILES notation for ethyl 5-[5-[3,4-diethyl-5-(3,4,5-triethyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate?

The canonical SMILES for ethyl 5-[5-[3,4-diethyl-5-(3,4,5-triethyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(-c2[nH]c(-c3[nH]c(-c4[nH]c(CC)c(CC)c4CC)c(CC)c3CC)c(CC)c2CC)c(CC)c1CC.

What is the InChIKey of ethyl 5-[5-[3,4-diethyl-5-(3,4,5-triethyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate?

The InChIKey is JECUFDUZESLMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H54N4O2/c1-11-21-22(12-2)30(38-29(21)19-9)31-23(13-3)24(14-4)32(39-31)33-25(15-5)26(16-6)34(40-33)35-27(17-7)28(18-8)36(41-35)37(42)43-20-10/h38-41H,11-20H2,1-10H3.

What are the key properties of ethyl 5-[5-[3,4-diethyl-5-(3,4,5-triethyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate?

ethyl 5-[5-[3,4-diethyl-5-(3,4,5-triethyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate has a molecular weight of 586.87 g/mol, XLogP of 9.24, 14 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[5-[3,4-diethyl-5-(3,4,5-triethyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 23591114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).