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

C60H38N8 — CID 165150773

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

2-phenyl-4-[11-[4-phenyl-6-(2-pyridin-4-ylphenyl)-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]-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 165150773) has the molecular formula C60H38N8 and a molecular weight of 871.02 g/mol. Its IUPAC name is 2-phenyl-4-[11-[4-phenyl-6-(2-pyridin-4-ylphenyl)-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]-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-[11-[4-phenyl-6-(2-pyridin-4-ylphenyl)-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]-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine
• PubChem CID: 165150773
• Molecular Formula: C60H38N8
• Molecular Weight: 871.02 g/mol
• Exact Mass: 870.32
• IUPAC Name: 2-phenyl-4-[11-[4-phenyl-6-(2-pyridin-4-ylphenyl)-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]-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6-c6ccncc6)n5)ccc43)nc(-c3ccccc3-c3ccncc3)n2)cc1
• InChI: InChI=1S/C60H38N8/c1-3-13-39(14-4-1)55-63-57(67-59(65-55)49-21-11-7-17-43(49)37-27-31-61-32-28-37)41-23-25-47-51(35-41)53-45-19-9-10-20-46(45)54(47)52-36-42(24-26-48(52)53)58-64-56(40-15-5-2-6-16-40)66-60(68-58)50-22-12-8-18-44(50)38-29-33-62-34-30-38/h1-36,53-54H
• InChIKey: JRPCSIFRUZNMGI-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-[11-[4-phenyl-6-(2-pyridin-4-ylphenyl)-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]-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-phenyl-4-[11-[4-phenyl-6-(2-pyridin-4-ylphenyl)-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]-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine (CID 165150773) is 2-phenyl-4-[11-[4-phenyl-6-(2-pyridin-4-ylphenyl)-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]-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-phenyl-4-[11-[4-phenyl-6-(2-pyridin-4-ylphenyl)-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]-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6-c6ccncc6)n5)ccc43)nc(-c3ccccc3-c3ccncc3)n2)cc1.

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

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

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

2-phenyl-4-[11-[4-phenyl-6-(2-pyridin-4-ylphenyl)-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]-6-(2-pyridin-4-ylphenyl)-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-[11-[4-phenyl-6-(2-pyridin-4-ylphenyl)-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]-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 165150773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).