3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid

C98H89Cl2N11O7 — CID 165040253

About 3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid

3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 165040253) has the molecular formula C98H89Cl2N11O7 and a molecular weight of 1603.77 g/mol. Its IUPAC name is 3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

• Compound Name: 3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
• PubChem CID: 165040253
• Molecular Formula: C98H89Cl2N11O7
• Molecular Weight: 1603.77 g/mol
• Exact Mass: 1601.63
• IUPAC Name: 3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
• SMILES: C=C(O)c1[nH]c(-c2cccc3[nH]ccc23)c(CC)c1-c1cccc2[nH]ccc12.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1-c1c(Cl)cc(CC)c2[nH]ccc12.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc2c1ccn2CC.COc1ccc(-c2c(C(C)=O)[nH]c(-c3cccc4[nH]ccc34)c2C(C)C)c(Cl)c1
• InChI: InChI=1S/C25H22ClN3O2.C25H23N3O2.C24H23ClN2O2.C24H21N3O/c1-3-13-12-18(26)20(17-9-11-28-22(13)17)21-14(4-2)23(29-24(21)25(30)31)16-6-5-7-19-15(16)8-10-27-19;1-3-15-22(18-7-6-10-21-17(18)12-14-28(21)4-2)24(25(29)30)27-23(15)19-8-5-9-20-16(19)11-13-26-20;1-13(2)21-22(18-9-8-15(29-4)12-19(18)25)23(14(3)28)27-24(21)17-6-5-7-20-16(17)10-11-26-20;1-3-15-22(18-6-4-8-20-16(18)10-12-25-20)23(14(2)28)27-24(15)19-7-5-9-21-17(19)11-13-26-21/h5-12,27-29H,3-4H2,1-2H3,(H,30,31);5-14,26-27H,3-4H2,1-2H3,(H,29,30);5-13,26-27H,1-4H3;4-13,25-28H,2-3H2,1H3
• InChIKey: NZUQSFBRLPQUBN-UHFFFAOYSA-N
• XLogP: 26.07
• TPSA: 283.96 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1603.77
LogP ≤ 5	26.07
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid?

The IUPAC name of 3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid (CID 165040253) is 3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid.

What is the SMILES notation for 3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid?

The canonical SMILES for 3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid is C=C(O)c1[nH]c(-c2cccc3[nH]ccc23)c(CC)c1-c1cccc2[nH]ccc12.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1-c1c(Cl)cc(CC)c2[nH]ccc12.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc2c1ccn2CC.COc1ccc(-c2c(C(C)=O)[nH]c(-c3cccc4[nH]ccc34)c2C(C)C)c(Cl)c1.

What is the InChIKey of 3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid?

The InChIKey is NZUQSFBRLPQUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2.C25H23N3O2.C24H23ClN2O2.C24H21N3O/c1-3-13-12-18(26)20(17-9-11-28-22(13)17)21-14(4-2)23(29-24(21)25(30)31)16-6-5-7-19-15(16)8-10-27-19;1-3-15-22(18-7-6-10-21-17(18)12-14-28(21)4-2)24(25(29)30)27-23(15)19-8-5-9-20-16(19)11-13-26-20;1-13(2)21-22(18-9-8-15(29-4)12-19(18)25)23(14(3)28)27-24(21)17-6-5-7-20-16(17)10-11-26-20;1-3-15-22(18-6-4-8-20-16(18)10-12-25-20)23(14(2)28)27-24(15)19-7-5-9-21-17(19)11-13-26-21/h5-12,27-29H,3-4H2,1-2H3,(H,30,31);5-14,26-27H,3-4H2,1-2H3,(H,29,30);5-13,26-27H,1-4H3;4-13,25-28H,2-3H2,1H3.

What are the key properties of 3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid?

3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 1603.77 g/mol, XLogP of 26.07, 19 rotatable bonds, 13 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 165040253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).