2-(1-benzofuran-2-yl)-4-[4-[11-[4-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine

C66H40N6O2 — CID 165151283

About 2-(1-benzofuran-2-yl)-4-[4-[11-[4-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine

2-(1-benzofuran-2-yl)-4-[4-[11-[4-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 165151283) has the molecular formula C66H40N6O2 and a molecular weight of 949.09 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4-[4-[11-[4-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-yl)-4-[4-[11-[4-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 165151283
• Molecular Formula: C66H40N6O2
• Molecular Weight: 949.09 g/mol
• Exact Mass: 948.32
• IUPAC Name: 2-(1-benzofuran-2-yl)-4-[4-[11-[4-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cc9ccccc9o8)n7)cc6)ccc54)cc3)nc(-c3cc4ccccc4o3)n2)cc1
• InChI: InChI=1S/C66H40N6O2/c1-3-13-41(14-4-1)61-67-63(71-65(69-61)57-37-47-17-7-11-21-55(47)73-57)43-27-23-39(24-28-43)45-31-33-51-53(35-45)59-49-19-9-10-20-50(49)60(51)54-36-46(32-34-52(54)59)40-25-29-44(30-26-40)64-68-62(42-15-5-2-6-16-42)70-66(72-64)58-38-48-18-8-12-22-56(48)74-58/h1-38,59-60H
• InChIKey: BEPQQXGBDFSXND-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 103.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.09
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-(1-benzofuran-2-yl)-4-[4-[11-[4-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine (CID 165151283) is 2-(1-benzofuran-2-yl)-4-[4-[11-[4-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine.

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

The canonical SMILES for 2-(1-benzofuran-2-yl)-4-[4-[11-[4-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cc9ccccc9o8)n7)cc6)ccc54)cc3)nc(-c3cc4ccccc4o3)n2)cc1.

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

The InChIKey is BEPQQXGBDFSXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N6O2/c1-3-13-41(14-4-1)61-67-63(71-65(69-61)57-37-47-17-7-11-21-55(47)73-57)43-27-23-39(24-28-43)45-31-33-51-53(35-45)59-49-19-9-10-20-50(49)60(51)54-36-46(32-34-52(54)59)40-25-29-44(30-26-40)64-68-62(42-15-5-2-6-16-42)70-66(72-64)58-38-48-18-8-12-22-56(48)74-58/h1-38,59-60H.

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

2-(1-benzofuran-2-yl)-4-[4-[11-[4-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 949.09 g/mol, XLogP of 15.87, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-yl)-4-[4-[11-[4-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 165151283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).