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

C248H160N24 — CID 167580611

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

bis(2-[4-[11-[4-(4,6-diphenyl-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]-4,6-diphenyl-1,3,5-triazine);bis(2-phenyl-4-(3-phenylphenyl)-6-[11-[4-phenyl-6-(3-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) (PubChem CID 167580611) has the molecular formula C248H160N24 and a molecular weight of 3476.18 g/mol. Its IUPAC name is bis(2-[4-[11-[4-(4,6-diphenyl-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]-4,6-diphenyl-1,3,5-triazine);bis(2-phenyl-4-(3-phenylphenyl)-6-[11-[4-phenyl-6-(3-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).

Molecular Properties

• Compound Name: bis(2-[4-[11-[4-(4,6-diphenyl-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]-4,6-diphenyl-1,3,5-triazine);bis(2-phenyl-4-(3-phenylphenyl)-6-[11-[4-phenyl-6-(3-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)
• PubChem CID: 167580611
• Molecular Formula: C248H160N24
• Molecular Weight: 3476.18 g/mol
• Exact Mass: 3473.33
• IUPAC Name: bis(2-[4-[11-[4-(4,6-diphenyl-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]-4,6-diphenyl-1,3,5-triazine);bis(2-phenyl-4-(3-phenylphenyl)-6-[11-[4-phenyl-6-(3-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)
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)ccc54)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)ccc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc54)cc3)n2)cc1
• InChI: InChI=1S/4C62H40N6/c2*1-5-17-39(18-6-1)43-25-15-27-45(35-43)59-63-57(41-21-9-3-10-22-41)65-61(67-59)47-31-33-51-53(37-47)55-49-29-13-14-30-50(49)56(51)54-38-48(32-34-52(54)55)62-66-58(42-23-11-4-12-24-42)64-60(68-62)46-28-16-26-44(36-46)40-19-7-2-8-20-40;2*1-5-15-41(16-6-1)57-63-58(42-17-7-2-8-18-42)66-61(65-57)45-29-25-39(26-30-45)47-33-35-51-53(37-47)55-49-23-13-14-24-50(49)56(51)54-38-48(34-36-52(54)55)40-27-31-46(32-28-40)62-67-59(43-19-9-3-10-20-43)64-60(68-62)44-21-11-4-12-22-44/h4*1-38,55-56H
• InChIKey: HCZUJSXZZNWOJK-UHFFFAOYSA-N
• XLogP: 57.52
• TPSA: 309.36 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3476.18
LogP ≤ 5	57.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of bis(2-[4-[11-[4-(4,6-diphenyl-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]-4,6-diphenyl-1,3,5-triazine);bis(2-phenyl-4-(3-phenylphenyl)-6-[11-[4-phenyl-6-(3-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) (CID 167580611) is bis(2-[4-[11-[4-(4,6-diphenyl-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]-4,6-diphenyl-1,3,5-triazine);bis(2-phenyl-4-(3-phenylphenyl)-6-[11-[4-phenyl-6-(3-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).

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

The canonical SMILES for bis(2-[4-[11-[4-(4,6-diphenyl-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]-4,6-diphenyl-1,3,5-triazine);bis(2-phenyl-4-(3-phenylphenyl)-6-[11-[4-phenyl-6-(3-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) is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)ccc54)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)ccc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc54)cc3)n2)cc1.

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

The InChIKey is HCZUJSXZZNWOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C62H40N6/c2*1-5-17-39(18-6-1)43-25-15-27-45(35-43)59-63-57(41-21-9-3-10-22-41)65-61(67-59)47-31-33-51-53(37-47)55-49-29-13-14-30-50(49)56(51)54-38-48(32-34-52(54)55)62-66-58(42-23-11-4-12-24-42)64-60(68-62)46-28-16-26-44(36-46)40-19-7-2-8-20-40;2*1-5-15-41(16-6-1)57-63-58(42-17-7-2-8-18-42)66-61(65-57)45-29-25-39(26-30-45)47-33-35-51-53(37-47)55-49-23-13-14-24-50(49)56(51)54-38-48(34-36-52(54)55)40-27-31-46(32-28-40)62-67-59(43-19-9-3-10-20-43)64-60(68-62)44-21-11-4-12-22-44/h4*1-38,55-56H.

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

bis(2-[4-[11-[4-(4,6-diphenyl-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]-4,6-diphenyl-1,3,5-triazine);bis(2-phenyl-4-(3-phenylphenyl)-6-[11-[4-phenyl-6-(3-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) has a molecular weight of 3476.18 g/mol, XLogP of 57.52, 32 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[4-[11-[4-(4,6-diphenyl-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]-4,6-diphenyl-1,3,5-triazine);bis(2-phenyl-4-(3-phenylphenyl)-6-[11-[4-phenyl-6-(3-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) is sourced from PubChem (CID 167580611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).