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

C60H38N8 — CID 165150820

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

2-phenyl-4-[3-[11-[3-(4-phenyl-6-pyridin-2-yl-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-pyridin-2-yl-1,3,5-triazine (PubChem CID 165150820) has the molecular formula C60H38N8 and a molecular weight of 871.02 g/mol. Its IUPAC name is 2-phenyl-4-[3-[11-[3-(4-phenyl-6-pyridin-2-yl-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-pyridin-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-[3-[11-[3-(4-phenyl-6-pyridin-2-yl-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-pyridin-2-yl-1,3,5-triazine
• PubChem CID: 165150820
• Molecular Formula: C60H38N8
• Molecular Weight: 871.02 g/mol
• Exact Mass: 870.32
• IUPAC Name: 2-phenyl-4-[3-[11-[3-(4-phenyl-6-pyridin-2-yl-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-pyridin-2-yl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccn8)n7)c6)ccc54)c3)nc(-c3ccccn3)n2)cc1
• InChI: InChI=1S/C60H38N8/c1-3-15-37(16-4-1)55-63-57(67-59(65-55)51-25-9-11-31-61-51)43-21-13-19-39(33-43)41-27-29-47-49(35-41)53-45-23-7-8-24-46(45)54(47)50-36-42(28-30-48(50)53)40-20-14-22-44(34-40)58-64-56(38-17-5-2-6-18-38)66-60(68-58)52-26-10-12-32-62-52/h1-36,53-54H
• InChIKey: WFBQLYVKGFHOBZ-UHFFFAOYSA-N
• XLogP: 13.17
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.02
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-phenyl-4-[3-[11-[3-(4-phenyl-6-pyridin-2-yl-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-pyridin-2-yl-1,3,5-triazine (CID 165150820) is 2-phenyl-4-[3-[11-[3-(4-phenyl-6-pyridin-2-yl-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-pyridin-2-yl-1,3,5-triazine.

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

The canonical SMILES for 2-phenyl-4-[3-[11-[3-(4-phenyl-6-pyridin-2-yl-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-pyridin-2-yl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccn8)n7)c6)ccc54)c3)nc(-c3ccccn3)n2)cc1.

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

The InChIKey is WFBQLYVKGFHOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N8/c1-3-15-37(16-4-1)55-63-57(67-59(65-55)51-25-9-11-31-61-51)43-21-13-19-39(33-43)41-27-29-47-49(35-41)53-45-23-7-8-24-46(45)54(47)50-36-42(28-30-48(50)53)40-20-14-22-44(34-40)58-64-56(38-17-5-2-6-18-38)66-60(68-58)52-26-10-12-32-62-52/h1-36,53-54H.

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

2-phenyl-4-[3-[11-[3-(4-phenyl-6-pyridin-2-yl-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-pyridin-2-yl-1,3,5-triazine has a molecular weight of 871.02 g/mol, XLogP of 13.17, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-[3-[11-[3-(4-phenyl-6-pyridin-2-yl-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-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 165150820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).