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

C76H48N10 — CID 165150877

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

2-phenyl-1-[3-[4-phenyl-6-[11-[4-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-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]phenyl]benzimidazole (PubChem CID 165150877) has the molecular formula C76H48N10 and a molecular weight of 1101.29 g/mol. Its IUPAC name is 2-phenyl-1-[3-[4-phenyl-6-[11-[4-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-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]phenyl]benzimidazole.

Molecular Properties

• Compound Name: 2-phenyl-1-[3-[4-phenyl-6-[11-[4-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-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]phenyl]benzimidazole
• PubChem CID: 165150877
• Molecular Formula: C76H48N10
• Molecular Weight: 1101.29 g/mol
• Exact Mass: 1100.41
• IUPAC Name: 2-phenyl-1-[3-[4-phenyl-6-[11-[4-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-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]phenyl]benzimidazole
• SMILES: c1ccc(-c2nc(-c3cccc(-n4c(-c5ccccc5)nc5ccccc54)c3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-n7c(-c8ccccc8)nc8ccccc87)c6)n5)ccc43)n2)cc1
• InChI: InChI=1S/C76H48N10/c1-5-21-47(22-6-1)69-79-71(51-29-19-31-55(43-51)85-65-37-17-15-35-63(65)77-75(85)49-25-9-3-10-26-49)83-73(81-69)53-39-41-59-61(45-53)67-57-33-13-14-34-58(57)68(59)62-46-54(40-42-60(62)67)74-82-70(48-23-7-2-8-24-48)80-72(84-74)52-30-20-32-56(44-52)86-66-38-18-16-36-64(66)78-76(86)50-27-11-4-12-28-50/h1-46,67-68H
• InChIKey: OIVJCXUVSBVGJV-UHFFFAOYSA-N
• XLogP: 17.06
• TPSA: 112.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1101.29
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-phenyl-1-[3-[4-phenyl-6-[11-[4-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-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]phenyl]benzimidazole (CID 165150877) is 2-phenyl-1-[3-[4-phenyl-6-[11-[4-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-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]phenyl]benzimidazole.

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

The canonical SMILES for 2-phenyl-1-[3-[4-phenyl-6-[11-[4-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-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]phenyl]benzimidazole is c1ccc(-c2nc(-c3cccc(-n4c(-c5ccccc5)nc5ccccc54)c3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-n7c(-c8ccccc8)nc8ccccc87)c6)n5)ccc43)n2)cc1.

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

The InChIKey is OIVJCXUVSBVGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N10/c1-5-21-47(22-6-1)69-79-71(51-29-19-31-55(43-51)85-65-37-17-15-35-63(65)77-75(85)49-25-9-3-10-26-49)83-73(81-69)53-39-41-59-61(45-53)67-57-33-13-14-34-58(57)68(59)62-46-54(40-42-60(62)67)74-82-70(48-23-7-2-8-24-48)80-72(84-74)52-30-20-32-56(44-52)86-66-38-18-16-36-64(66)78-76(86)50-27-11-4-12-28-50/h1-46,67-68H.

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

2-phenyl-1-[3-[4-phenyl-6-[11-[4-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-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]phenyl]benzimidazole has a molecular weight of 1101.29 g/mol, XLogP of 17.06, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-1-[3-[4-phenyl-6-[11-[4-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-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]phenyl]benzimidazole is sourced from PubChem (CID 165150877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).