1-[10-([1]benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine

C184H106N8O3S5 — CID 157132572

About 1-[10-([1]benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine

1-[10-([1]benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine (PubChem CID 157132572) has the molecular formula C184H106N8O3S5 and a molecular weight of 2637.26 g/mol. Its IUPAC name is 1-[10-([1]benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

• Compound Name: 1-[10-([1]benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine
• PubChem CID: 157132572
• Molecular Formula: C184H106N8O3S5
• Molecular Weight: 2637.26 g/mol
• Exact Mass: 2634.70
• IUPAC Name: 1-[10-([1]benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine
• SMILES: c1cc2ccc3cccc4c(-c5nccc6c5sc5ccccc56)cc(c1)c2c34.c1ccc2c(c1)cc(-c1nccc3c1sc1ccccc13)c1ccccc12.c1ccc2c(c1)oc1c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nccc7c6sc6ccccc67)cc5)c5ccccc45)cc3)nccc12.c1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4nccc5c4oc4ccccc45)c4ccccc34)ncc12.c1ccc2c(c1)sc1cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nccc7c6sc6ccccc67)cc5)c5ccccc45)cc3)ncc12
• InChI: InChI=1S/C48H28N2OS.C48H28N2S2.C36H20N2O2.C27H15NS.C25H15NS/c1-3-13-37-35(11-1)43(29-17-21-31(22-18-29)45-47-39(25-27-49-45)33-9-5-7-15-41(33)51-47)36-12-2-4-14-38(36)44(37)30-19-23-32(24-20-30)46-48-40(26-28-50-46)34-10-6-8-16-42(34)52-48;1-3-13-37-35(11-1)45(30-19-17-29(18-20-30)41-27-44-40(28-50-41)34-10-6-7-15-42(34)51-44)36-12-2-4-14-38(36)46(37)31-21-23-32(24-22-31)47-48-39(25-26-49-47)33-9-5-8-16-43(33)52-48;1-3-13-25-23(11-1)33(29-19-32-28(20-38-29)22-10-6-7-15-30(22)39-32)24-12-2-4-14-26(24)34(25)35-36-27(17-18-37-35)21-9-5-8-16-31(21)40-36;1-2-10-23-19(8-1)21-13-14-28-26(27(21)29-23)22-15-18-7-3-5-16-11-12-17-6-4-9-20(22)25(17)24(16)18;1-2-8-17-16(7-1)15-22(19-10-4-3-9-18(17)19)24-25-21(13-14-26-24)20-11-5-6-12-23(20)27-25/h2*1-28H;1-20H;1-15H;1-15H
• InChIKey: AJFZJAKGNPYEMZ-UHFFFAOYSA-N
• XLogP: 53.26
• TPSA: 142.54 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2637.26
LogP ≤ 5	53.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[10-([1]benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine?

The IUPAC name of 1-[10-([1]benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine (CID 157132572) is 1-[10-([1]benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine.

What is the SMILES notation for 1-[10-([1]benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine?

The canonical SMILES for 1-[10-([1]benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine is c1cc2ccc3cccc4c(-c5nccc6c5sc5ccccc56)cc(c1)c2c34.c1ccc2c(c1)cc(-c1nccc3c1sc1ccccc13)c1ccccc12.c1ccc2c(c1)oc1c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nccc7c6sc6ccccc67)cc5)c5ccccc45)cc3)nccc12.c1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4nccc5c4oc4ccccc45)c4ccccc34)ncc12.c1ccc2c(c1)sc1cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nccc7c6sc6ccccc67)cc5)c5ccccc45)cc3)ncc12.

What is the InChIKey of 1-[10-([1]benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine?

The InChIKey is AJFZJAKGNPYEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2OS.C48H28N2S2.C36H20N2O2.C27H15NS.C25H15NS/c1-3-13-37-35(11-1)43(29-17-21-31(22-18-29)45-47-39(25-27-49-45)33-9-5-7-15-41(33)51-47)36-12-2-4-14-38(36)44(37)30-19-23-32(24-20-30)46-48-40(26-28-50-46)34-10-6-8-16-42(34)52-48;1-3-13-37-35(11-1)45(30-19-17-29(18-20-30)41-27-44-40(28-50-41)34-10-6-7-15-42(34)51-44)36-12-2-4-14-38(36)46(37)31-21-23-32(24-22-31)47-48-39(25-26-49-47)33-9-5-8-16-43(33)52-48;1-3-13-25-23(11-1)33(29-19-32-28(20-38-29)22-10-6-7-15-30(22)39-32)24-12-2-4-14-26(24)34(25)35-36-27(17-18-37-35)21-9-5-8-16-31(21)40-36;1-2-10-23-19(8-1)21-13-14-28-26(27(21)29-23)22-15-18-7-3-5-16-11-12-17-6-4-9-20(22)25(17)24(16)18;1-2-8-17-16(7-1)15-22(19-10-4-3-9-18(17)19)24-25-21(13-14-26-24)20-11-5-6-12-23(20)27-25/h2*1-28H;1-20H;1-15H;1-15H.

What are the key properties of 1-[10-([1]benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine?

1-[10-([1]benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 2637.26 g/mol, XLogP of 53.26, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[10-([1]benzofuro[3,2-c]pyridin-3-yl)anthracen-9-yl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;1-[4-[10-[4-([1]benzothiolo[3,2-c]pyridin-3-yl)phenyl]anthracen-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;1-phenanthren-9-yl-[1]benzothiolo[2,3-c]pyridine;1-pyren-4-yl-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 157132572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).