6-[2-[2-[11-[4-[2-([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 165151140

About 6-[2-[2-[11-[4-[2-([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-[2-[2-[11-[4-[2-([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 165151140) has the molecular formula C74H44N6O2 and a molecular weight of 1049.21 g/mol. Its IUPAC name is 6-[2-[2-[11-[4-[2-([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-[2-[2-[11-[4-[2-([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: 165151140
• Molecular Formula: C74H44N6O2
• Molecular Weight: 1049.21 g/mol
• Exact Mass: 1048.35
• IUPAC Name: 6-[2-[2-[11-[4-[2-([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(-c3ccccc3-c3cccc4c3oc3ccncc34)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6-c6cccc7c6oc6ccncc67)n5)ccc43)n2)cc1
• InChI: InChI=1S/C74H44N6O2/c1-3-15-43(16-4-1)63-39-65(49-21-9-7-19-47(49)55-25-13-27-57-61-41-75-35-33-67(61)81-71(55)57)79-73(77-63)45-29-31-53-59(37-45)69-51-23-11-12-24-52(51)70(53)60-38-46(30-32-54(60)69)74-78-64(44-17-5-2-6-18-44)40-66(80-74)50-22-10-8-20-48(50)56-26-14-28-58-62-42-76-36-34-68(62)82-72(56)58/h1-42,69-70H
• InChIKey: VQJKLYJSKRJIKA-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-[2-[2-[11-[4-[2-([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-[2-[2-[11-[4-[2-([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 165151140) is 6-[2-[2-[11-[4-[2-([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-[2-[2-[11-[4-[2-([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-[2-[2-[11-[4-[2-([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(-c3ccccc3-c3cccc4c3oc3ccncc34)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6-c6cccc7c6oc6ccncc67)n5)ccc43)n2)cc1.

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

What are the key properties of 6-[2-[2-[11-[4-[2-([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-[2-[2-[11-[4-[2-([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-[2-[2-[11-[4-[2-([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 165151140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).