6-[4-[2-[11-[4-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-6-phenylpyrimidin-2-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]-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine

C74H44N6O2 — CID 165151601

About 6-[4-[2-[11-[4-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-6-phenylpyrimidin-2-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]-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine

6-[4-[2-[11-[4-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-6-phenylpyrimidin-2-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]-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 165151601) has the molecular formula C74H44N6O2 and a molecular weight of 1049.21 g/mol. Its IUPAC name is 6-[4-[2-[11-[4-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-6-phenylpyrimidin-2-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]-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

• Compound Name: 6-[4-[2-[11-[4-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-6-phenylpyrimidin-2-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]-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine
• PubChem CID: 165151601
• Molecular Formula: C74H44N6O2
• Molecular Weight: 1049.21 g/mol
• Exact Mass: 1048.35
• IUPAC Name: 6-[4-[2-[11-[4-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-6-phenylpyrimidin-2-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]-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccncc45)cc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7cccc8c7oc7ccncc78)cc6)n5)ccc43)n2)cc1
• InChI: InChI=1S/C74H44N6O2/c1-3-11-45(12-4-1)63-39-65(47-25-21-43(22-26-47)51-17-9-19-57-61-41-75-35-33-67(61)81-71(51)57)79-73(77-63)49-29-31-55-59(37-49)69-53-15-7-8-16-54(53)70(55)60-38-50(30-32-56(60)69)74-78-64(46-13-5-2-6-14-46)40-66(80-74)48-27-23-44(24-28-48)52-18-10-20-58-62-42-76-36-34-68(62)82-72(52)58/h1-42,69-70H
• InChIKey: BHMRYGKQPRUTRP-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 6-[4-[2-[11-[4-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-6-phenylpyrimidin-2-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]-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine?

The IUPAC name of 6-[4-[2-[11-[4-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-6-phenylpyrimidin-2-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]-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine (CID 165151601) is 6-[4-[2-[11-[4-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-6-phenylpyrimidin-2-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]-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine.

What is the SMILES notation for 6-[4-[2-[11-[4-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-6-phenylpyrimidin-2-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]-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine?

The canonical SMILES for 6-[4-[2-[11-[4-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-6-phenylpyrimidin-2-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]-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccncc45)cc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7cccc8c7oc7ccncc78)cc6)n5)ccc43)n2)cc1.

What is the InChIKey of 6-[4-[2-[11-[4-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-6-phenylpyrimidin-2-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]-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine?

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

What are the key properties of 6-[4-[2-[11-[4-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-6-phenylpyrimidin-2-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]-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine?

6-[4-[2-[11-[4-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-6-phenylpyrimidin-2-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]-6-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 6-[4-[2-[11-[4-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-6-phenylpyrimidin-2-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]-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 165151601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).