2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine

C126H80Cl8N20OS — CID 158478550

About 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine

2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine (PubChem CID 158478550) has the molecular formula C126H80Cl8N20OS and a molecular weight of 2205.86 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine
• PubChem CID: 158478550
• Molecular Formula: C126H80Cl8N20OS
• Molecular Weight: 2205.86 g/mol
• Exact Mass: 2200.41
• IUPAC Name: 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine
• SMILES: Clc1cc2c(ccn2-c2ccccc2)cn1.Clc1ccc2ccn(-c3ccccc3)c2n1.Clc1cnc2ccn(-c3ccccc3)c2n1.Clc1nc(-c2cccc(-c3ccccc3)c2)c2sc3ccccc3c2n1.Clc1nc(-c2cccc3ccccc23)c2oc3ccccc3c2n1.Clc1ncc2ccn(-c3ccc(-c4ccccc4)cc3)c2n1.Clc1ncc2ccn(-c3ccc4ccccc4c3)c2n1.Clc1ncc2ccn(-c3ccccc3)c2n1
• InChI: InChI=1S/C22H13ClN2S.C20H11ClN2O.C18H12ClN3.C16H10ClN3.2C13H9ClN2.2C12H8ClN3/c23-22-24-19(21-20(25-22)17-11-4-5-12-18(17)26-21)16-10-6-9-15(13-16)14-7-2-1-3-8-14;21-20-22-17(14-10-5-7-12-6-1-2-8-13(12)14)19-18(23-20)15-9-3-4-11-16(15)24-19;19-18-20-12-15-10-11-22(17(15)21-18)16-8-6-14(7-9-16)13-4-2-1-3-5-13;17-16-18-10-13-7-8-20(15(13)19-16)14-6-5-11-3-1-2-4-12(11)9-14;14-13-8-12-10(9-15-13)6-7-16(12)11-4-2-1-3-5-11;14-12-7-6-10-8-9-16(13(10)15-12)11-4-2-1-3-5-11;13-12-14-8-9-6-7-16(11(9)15-12)10-4-2-1-3-5-10;13-11-8-14-10-6-7-16(12(10)15-11)9-4-2-1-3-5-9/h1-13H;1-11H;1-12H;1-10H;2*1-9H;2*1-8H
• InChIKey: HHFVYKPNECNIGB-UHFFFAOYSA-N
• XLogP: 35.16
• TPSA: 223.18 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2205.86
LogP ≤ 5	35.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine?

The IUPAC name of 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine (CID 158478550) is 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine.

What is the SMILES notation for 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine?

The canonical SMILES for 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine is Clc1cc2c(ccn2-c2ccccc2)cn1.Clc1ccc2ccn(-c3ccccc3)c2n1.Clc1cnc2ccn(-c3ccccc3)c2n1.Clc1nc(-c2cccc(-c3ccccc3)c2)c2sc3ccccc3c2n1.Clc1nc(-c2cccc3ccccc23)c2oc3ccccc3c2n1.Clc1ncc2ccn(-c3ccc(-c4ccccc4)cc3)c2n1.Clc1ncc2ccn(-c3ccc4ccccc4c3)c2n1.Clc1ncc2ccn(-c3ccccc3)c2n1.

What is the InChIKey of 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine?

The InChIKey is HHFVYKPNECNIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClN2S.C20H11ClN2O.C18H12ClN3.C16H10ClN3.2C13H9ClN2.2C12H8ClN3/c23-22-24-19(21-20(25-22)17-11-4-5-12-18(17)26-21)16-10-6-9-15(13-16)14-7-2-1-3-8-14;21-20-22-17(14-10-5-7-12-6-1-2-8-13(12)14)19-18(23-20)15-9-3-4-11-16(15)24-19;19-18-20-12-15-10-11-22(17(15)21-18)16-8-6-14(7-9-16)13-4-2-1-3-5-13;17-16-18-10-13-7-8-20(15(13)19-16)14-6-5-11-3-1-2-4-12(11)9-14;14-13-8-12-10(9-15-13)6-7-16(12)11-4-2-1-3-5-11;14-12-7-6-10-8-9-16(13(10)15-12)11-4-2-1-3-5-11;13-12-14-8-9-6-7-16(11(9)15-12)10-4-2-1-3-5-10;13-11-8-14-10-6-7-16(12(10)15-11)9-4-2-1-3-5-9/h1-13H;1-11H;1-12H;1-10H;2*1-9H;2*1-8H.

What are the key properties of 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine?

2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 2205.86 g/mol, XLogP of 35.16, 10 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 158478550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).