1-phenyl-2-[4-phenyl-6-[11-[4-phenyl-6-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-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]-1,3,5-triazin-2-yl]benzimidazole

C64H40N10 — CID 165151530

About 1-phenyl-2-[4-phenyl-6-[11-[4-phenyl-6-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-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]-1,3,5-triazin-2-yl]benzimidazole

1-phenyl-2-[4-phenyl-6-[11-[4-phenyl-6-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-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]-1,3,5-triazin-2-yl]benzimidazole (PubChem CID 165151530) has the molecular formula C64H40N10 and a molecular weight of 949.09 g/mol. Its IUPAC name is 1-phenyl-2-[4-phenyl-6-[11-[4-phenyl-6-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-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]-1,3,5-triazin-2-yl]benzimidazole.

Molecular Properties

• Compound Name: 1-phenyl-2-[4-phenyl-6-[11-[4-phenyl-6-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-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]-1,3,5-triazin-2-yl]benzimidazole
• PubChem CID: 165151530
• Molecular Formula: C64H40N10
• Molecular Weight: 949.09 g/mol
• Exact Mass: 948.34
• IUPAC Name: 1-phenyl-2-[4-phenyl-6-[11-[4-phenyl-6-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-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]-1,3,5-triazin-2-yl]benzimidazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6nc7ccccc7n6-c6ccccc6)n5)ccc43)nc(-c3nc4ccccc4n3-c3ccccc3)n2)cc1
• InChI: InChI=1S/C64H40N10/c1-5-19-39(20-6-1)57-67-59(71-61(69-57)63-65-51-29-15-17-31-53(51)73(63)43-23-9-3-10-24-43)41-33-35-47-49(37-41)55-45-27-13-14-28-46(45)56(47)50-38-42(34-36-48(50)55)60-68-58(40-21-7-2-8-22-40)70-62(72-60)64-66-52-30-16-18-32-54(52)74(64)44-25-11-4-12-26-44/h1-38,55-56H
• InChIKey: AZWFPBNMGZCVQO-UHFFFAOYSA-N
• XLogP: 13.72
• TPSA: 112.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.09
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-phenyl-6-[11-[4-phenyl-6-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-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]-1,3,5-triazin-2-yl]benzimidazole?

The IUPAC name of 1-phenyl-2-[4-phenyl-6-[11-[4-phenyl-6-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-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]-1,3,5-triazin-2-yl]benzimidazole (CID 165151530) is 1-phenyl-2-[4-phenyl-6-[11-[4-phenyl-6-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-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]-1,3,5-triazin-2-yl]benzimidazole.

What is the SMILES notation for 1-phenyl-2-[4-phenyl-6-[11-[4-phenyl-6-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-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]-1,3,5-triazin-2-yl]benzimidazole?

The canonical SMILES for 1-phenyl-2-[4-phenyl-6-[11-[4-phenyl-6-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-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]-1,3,5-triazin-2-yl]benzimidazole is c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6nc7ccccc7n6-c6ccccc6)n5)ccc43)nc(-c3nc4ccccc4n3-c3ccccc3)n2)cc1.

What is the InChIKey of 1-phenyl-2-[4-phenyl-6-[11-[4-phenyl-6-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-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]-1,3,5-triazin-2-yl]benzimidazole?

The InChIKey is AZWFPBNMGZCVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N10/c1-5-19-39(20-6-1)57-67-59(71-61(69-57)63-65-51-29-15-17-31-53(51)73(63)43-23-9-3-10-24-43)41-33-35-47-49(37-41)55-45-27-13-14-28-46(45)56(47)50-38-42(34-36-48(50)55)60-68-58(40-21-7-2-8-22-40)70-62(72-60)64-66-52-30-16-18-32-54(52)74(64)44-25-11-4-12-26-44/h1-38,55-56H.

What are the key properties of 1-phenyl-2-[4-phenyl-6-[11-[4-phenyl-6-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-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]-1,3,5-triazin-2-yl]benzimidazole?

1-phenyl-2-[4-phenyl-6-[11-[4-phenyl-6-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-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]-1,3,5-triazin-2-yl]benzimidazole has a molecular weight of 949.09 g/mol, XLogP of 13.72, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-2-[4-phenyl-6-[11-[4-phenyl-6-(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-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]-1,3,5-triazin-2-yl]benzimidazole is sourced from PubChem (CID 165151530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).