8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine

C140H79N15O6S — CID 159297836

About 8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine

8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine (PubChem CID 159297836) has the molecular formula C140H79N15O6S and a molecular weight of 2099.34 g/mol. Its IUPAC name is 8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 159297836
• Molecular Formula: C140H79N15O6S
• Molecular Weight: 2099.34 g/mol
• Exact Mass: 2097.61
• IUPAC Name: 8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine
• SMILES: c1ccc2c(-c3ccc4oc5c(-c6ccnc7c6sc6ccc(-c8c9ccccc9cc9ccccc89)cc67)ccnc5c4c3)c3ccccc3cc2c1.c1ccc2c(c1)c1ncccc1n2-c1ccc2oc3cc(-c4cncnc4)cnc3c2c1.c1ccc2c(c1)oc1cc(-c3ccnc(-c4cc(-c5cnc6c(c5)oc5ccccc56)ccn4)c3)cnc12.c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6n5)nc4)cn3)nc12
• InChI: InChI=1S/C50H28N2OS.2C32H18N4O2.C26H15N5O/c1-5-13-35-29(9-1)25-30-10-2-6-14-36(30)45(35)33-17-19-43-41(27-33)47-49(53-43)39(21-23-51-47)40-22-24-52-48-42-28-34(18-20-44(42)54-50(40)48)46-37-15-7-3-11-31(37)26-32-12-4-8-16-38(32)46;1-3-7-27-23(5-1)31-29(37-27)15-21(17-35-31)19-9-11-33-25(13-19)26-14-20(10-12-34-26)22-16-30-32(36-18-22)24-6-2-4-8-28(24)38-30;1-3-7-27-21(5-1)31-29(37-27)15-13-25(35-31)23-11-9-19(17-33-23)20-10-12-24(34-18-20)26-14-16-30-32(36-26)22-6-2-4-8-28(22)38-30;1-2-5-21-19(4-1)25-22(6-3-9-29-25)31(21)18-7-8-23-20(11-18)26-24(32-23)10-16(14-30-26)17-12-27-15-28-13-17/h1-28H;2*1-18H;1-15H
• InChIKey: LAYJQQXYKUQXRG-UHFFFAOYSA-N
• XLogP: 36.42
• TPSA: 264.23 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2099.34
LogP ≤ 5	36.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine (CID 159297836) is 8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine is c1ccc2c(-c3ccc4oc5c(-c6ccnc7c6sc6ccc(-c8c9ccccc9cc9ccccc89)cc67)ccnc5c4c3)c3ccccc3cc2c1.c1ccc2c(c1)c1ncccc1n2-c1ccc2oc3cc(-c4cncnc4)cnc3c2c1.c1ccc2c(c1)oc1cc(-c3ccnc(-c4cc(-c5cnc6c(c5)oc5ccccc56)ccn4)c3)cnc12.c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6n5)nc4)cn3)nc12.

What is the InChIKey of 8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine?

The InChIKey is LAYJQQXYKUQXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N2OS.2C32H18N4O2.C26H15N5O/c1-5-13-35-29(9-1)25-30-10-2-6-14-36(30)45(35)33-17-19-43-41(27-33)47-49(53-43)39(21-23-51-47)40-22-24-52-48-42-28-34(18-20-44(42)54-50(40)48)46-37-15-7-3-11-31(37)26-32-12-4-8-16-38(32)46;1-3-7-27-23(5-1)31-29(37-27)15-21(17-35-31)19-9-11-33-25(13-19)26-14-20(10-12-34-26)22-16-30-32(36-18-22)24-6-2-4-8-28(24)38-30;1-3-7-27-21(5-1)31-29(37-27)15-13-25(35-31)23-11-9-19(17-33-23)20-10-12-24(34-18-20)26-14-16-30-32(36-26)22-6-2-4-8-28(22)38-30;1-2-5-21-19(4-1)25-22(6-3-9-29-25)31(21)18-7-8-23-20(11-18)26-24(32-23)10-16(14-30-26)17-12-27-15-28-13-17/h1-28H;2*1-18H;1-15H.

What are the key properties of 8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine?

8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 2099.34 g/mol, XLogP of 36.42, 11 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 159297836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).