8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine

C74H44N6O2 — CID 165150686

About 8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine

8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 165150686) has the molecular formula C74H44N6O2 and a molecular weight of 1049.21 g/mol. Its IUPAC name is 8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

• Compound Name: 8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine
• PubChem CID: 165150686
• Molecular Formula: C74H44N6O2
• Molecular Weight: 1049.21 g/mol
• Exact Mass: 1048.35
• IUPAC Name: 8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5oc6ccncc6c5c4)cc3)cc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccc(-c7ccc8oc9ccncc9c8c7)cc6)nc(-c6ccccc6)n5)ccc43)n2)cc1
• InChI: InChI=1S/C74H44N6O2/c1-3-9-47(10-4-1)73-77-63(45-19-15-43(16-20-45)49-25-29-67-57(35-49)61-41-75-33-31-69(61)81-67)39-65(79-73)51-23-27-55-59(37-51)71-53-13-7-8-14-54(53)72(55)60-38-52(24-28-56(60)71)66-40-64(78-74(80-66)48-11-5-2-6-12-48)46-21-17-44(18-22-46)50-26-30-68-58(36-50)62-42-76-34-32-70(62)82-68/h1-42,71-72H
• InChIKey: LHDCHEOUZLGBJV-UHFFFAOYSA-N
• XLogP: 18.18
• TPSA: 103.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1049.21
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine?

The IUPAC name of 8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine (CID 165150686) is 8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine.

What is the SMILES notation for 8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine?

The canonical SMILES for 8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2nc(-c3ccc(-c4ccc5oc6ccncc6c5c4)cc3)cc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccc(-c7ccc8oc9ccncc9c8c7)cc6)nc(-c6ccccc6)n5)ccc43)n2)cc1.

What is the InChIKey of 8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine?

The InChIKey is LHDCHEOUZLGBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H44N6O2/c1-3-9-47(10-4-1)73-77-63(45-19-15-43(16-20-45)49-25-29-67-57(35-49)61-41-75-33-31-69(61)81-67)39-65(79-73)51-23-27-55-59(37-51)71-53-13-7-8-14-54(53)72(55)60-38-52(24-28-56(60)71)66-40-64(78-74(80-66)48-11-5-2-6-12-48)46-21-17-44(18-22-46)50-26-30-68-58(36-50)62-42-76-34-32-70(62)82-68/h1-42,71-72H.

What are the key properties of 8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine?

8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 1049.21 g/mol, XLogP of 18.18, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 165150686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).