2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-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-(4-pyridin-3-ylphenyl)-1,3,5-triazine

C72H46N8 — CID 165150771

About 2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-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-(4-pyridin-3-ylphenyl)-1,3,5-triazine

2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-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-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 165150771) has the molecular formula C72H46N8 and a molecular weight of 1023.22 g/mol. Its IUPAC name is 2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-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-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-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-(4-pyridin-3-ylphenyl)-1,3,5-triazine
• PubChem CID: 165150771
• Molecular Formula: C72H46N8
• Molecular Weight: 1023.22 g/mol
• Exact Mass: 1022.38
• IUPAC Name: 2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-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-(4-pyridin-3-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9cccnc9)cc8)n7)cc6)ccc54)cc3)n2)cc1
• InChI: InChI=1S/C72H46N8/c1-3-11-49(12-4-1)67-75-69(79-71(77-67)53-31-23-47(24-32-53)57-15-9-39-73-43-57)51-27-19-45(20-28-51)55-35-37-61-63(41-55)65-59-17-7-8-18-60(59)66(61)64-42-56(36-38-62(64)65)46-21-29-52(30-22-46)70-76-68(50-13-5-2-6-14-50)78-72(80-70)54-33-25-48(26-34-54)58-16-10-40-74-44-58/h1-44,65-66H
• InChIKey: AEHLGGQVMXRKGL-UHFFFAOYSA-N
• XLogP: 16.50
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.22
LogP ≤ 5	16.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-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-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-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-(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 165150771) is 2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-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-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-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-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-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-(4-pyridin-3-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9cccnc9)cc8)n7)cc6)ccc54)cc3)n2)cc1.

What is the InChIKey of 2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-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-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

The InChIKey is AEHLGGQVMXRKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N8/c1-3-11-49(12-4-1)67-75-69(79-71(77-67)53-31-23-47(24-32-53)57-15-9-39-73-43-57)51-27-19-45(20-28-51)55-35-37-61-63(41-55)65-59-17-7-8-18-60(59)66(61)64-42-56(36-38-62(64)65)46-21-29-52(30-22-46)70-76-68(50-13-5-2-6-14-50)78-72(80-70)54-33-25-48(26-34-54)58-16-10-40-74-44-58/h1-44,65-66H.

What are the key properties of 2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-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-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-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-(4-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 1023.22 g/mol, XLogP of 16.50, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-[4-[11-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-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-(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 165150771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).