2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)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-triazine;2,4-diphenyl-6-[11-[4-phenyl-6-(2-phenylphenyl)-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-triazine;2-[3-[3-[11-(4,6-diphenyl-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]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C180H116N18 — CID 167711267

About 2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)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-triazine;2,4-diphenyl-6-[11-[4-phenyl-6-(2-phenylphenyl)-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-triazine;2-[3-[3-[11-(4,6-diphenyl-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]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)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-triazine;2,4-diphenyl-6-[11-[4-phenyl-6-(2-phenylphenyl)-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-triazine;2-[3-[3-[11-(4,6-diphenyl-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]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 167711267) has the molecular formula C180H116N18 and a molecular weight of 2531.03 g/mol. Its IUPAC name is 2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)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-triazine;2,4-diphenyl-6-[11-[4-phenyl-6-(2-phenylphenyl)-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-triazine;2-[3-[3-[11-(4,6-diphenyl-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]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)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-triazine;2,4-diphenyl-6-[11-[4-phenyl-6-(2-phenylphenyl)-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-triazine;2-[3-[3-[11-(4,6-diphenyl-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]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 167711267
• Molecular Formula: C180H116N18
• Molecular Weight: 2531.03 g/mol
• Exact Mass: 2528.96
• IUPAC Name: 2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)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-triazine;2,4-diphenyl-6-[11-[4-phenyl-6-(2-phenylphenyl)-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-triazine;2-[3-[3-[11-(4,6-diphenyl-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]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C5c7ccccc7C6c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc65)n4)c3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6-c6ccccc6)n5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5c7ccccc7C6c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc65)c4)c3)n2)cc1
• InChI: InChI=1S/2C62H40N6.C56H36N6/c1-5-17-39(18-6-1)57-63-58(40-19-7-2-8-20-40)66-61(65-57)47-28-16-27-45(36-47)43-25-15-26-44(35-43)46-31-33-51-53(37-46)55-49-29-13-14-30-50(49)56(51)54-38-48(32-34-52(54)55)62-67-59(41-21-9-3-10-22-41)64-60(68-62)42-23-11-4-12-24-42;1-5-16-39(17-6-1)40-28-30-41(31-29-40)45-24-15-25-46(36-45)60-64-59(44-22-11-4-12-23-44)67-62(68-60)48-33-35-52-54(38-48)56-50-27-14-13-26-49(50)55(52)53-37-47(32-34-51(53)56)61-65-57(42-18-7-2-8-19-42)63-58(66-61)43-20-9-3-10-21-43;1-5-17-35(18-6-1)41-25-13-16-28-46(41)56-61-53(38-23-11-4-12-24-38)60-55(62-56)40-30-32-45-48(34-40)50-43-27-15-14-26-42(43)49(45)47-33-39(29-31-44(47)50)54-58-51(36-19-7-2-8-20-36)57-52(59-54)37-21-9-3-10-22-37/h2*1-38,55-56H;1-34,49-50H
• InChIKey: ZWKDCQOXTMJZPK-UHFFFAOYSA-N
• XLogP: 41.47
• TPSA: 232.02 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 23
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2531.03
LogP ≤ 5	41.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)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-triazine;2,4-diphenyl-6-[11-[4-phenyl-6-(2-phenylphenyl)-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-triazine;2-[3-[3-[11-(4,6-diphenyl-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]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)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-triazine;2,4-diphenyl-6-[11-[4-phenyl-6-(2-phenylphenyl)-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-triazine;2-[3-[3-[11-(4,6-diphenyl-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]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 167711267) is 2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)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-triazine;2,4-diphenyl-6-[11-[4-phenyl-6-(2-phenylphenyl)-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-triazine;2-[3-[3-[11-(4,6-diphenyl-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]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)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-triazine;2,4-diphenyl-6-[11-[4-phenyl-6-(2-phenylphenyl)-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-triazine;2-[3-[3-[11-(4,6-diphenyl-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]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)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-triazine;2,4-diphenyl-6-[11-[4-phenyl-6-(2-phenylphenyl)-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-triazine;2-[3-[3-[11-(4,6-diphenyl-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]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C5c7ccccc7C6c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc65)n4)c3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6-c6ccccc6)n5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5c7ccccc7C6c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc65)c4)c3)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)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-triazine;2,4-diphenyl-6-[11-[4-phenyl-6-(2-phenylphenyl)-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-triazine;2-[3-[3-[11-(4,6-diphenyl-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]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is ZWKDCQOXTMJZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H40N6.C56H36N6/c1-5-17-39(18-6-1)57-63-58(40-19-7-2-8-20-40)66-61(65-57)47-28-16-27-45(36-47)43-25-15-26-44(35-43)46-31-33-51-53(37-46)55-49-29-13-14-30-50(49)56(51)54-38-48(32-34-52(54)55)62-67-59(41-21-9-3-10-22-41)64-60(68-62)42-23-11-4-12-24-42;1-5-16-39(17-6-1)40-28-30-41(31-29-40)45-24-15-25-46(36-45)60-64-59(44-22-11-4-12-23-44)67-62(68-60)48-33-35-52-54(38-48)56-50-27-14-13-26-49(50)55(52)53-37-47(32-34-51(53)56)61-65-57(42-18-7-2-8-19-42)63-58(66-61)43-20-9-3-10-21-43;1-5-17-35(18-6-1)41-25-13-16-28-46(41)56-61-53(38-23-11-4-12-24-38)60-55(62-56)40-30-32-45-48(34-40)50-43-27-15-14-26-42(43)49(45)47-33-39(29-31-44(47)50)54-58-51(36-19-7-2-8-20-36)57-52(59-54)37-21-9-3-10-22-37/h2*1-38,55-56H;1-34,49-50H.

What are the key properties of 2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)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-triazine;2,4-diphenyl-6-[11-[4-phenyl-6-(2-phenylphenyl)-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-triazine;2-[3-[3-[11-(4,6-diphenyl-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]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?

2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)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-triazine;2,4-diphenyl-6-[11-[4-phenyl-6-(2-phenylphenyl)-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-triazine;2-[3-[3-[11-(4,6-diphenyl-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]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2531.03 g/mol, XLogP of 41.47, 23 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)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-triazine;2,4-diphenyl-6-[11-[4-phenyl-6-(2-phenylphenyl)-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-triazine;2-[3-[3-[11-(4,6-diphenyl-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]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 167711267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).