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

C62H40N6 — CID 165150680

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

2,4-diphenyl-6-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-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]-1,3,5-triazine (PubChem CID 165150680) has the molecular formula C62H40N6 and a molecular weight of 869.04 g/mol. Its IUPAC name is 2,4-diphenyl-6-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-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]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-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]-1,3,5-triazine
• PubChem CID: 165150680
• Molecular Formula: C62H40N6
• Molecular Weight: 869.04 g/mol
• Exact Mass: 868.33
• IUPAC Name: 2,4-diphenyl-6-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-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]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c3)cc(-c3ccccc3-c3ccccn3)n2)cc1
• InChI: InChI=1S/C62H40N6/c1-4-17-39(18-5-1)59-64-55(38-56(65-59)47-26-11-10-25-46(47)54-29-14-15-34-63-54)44-24-16-23-42(35-44)43-30-32-50-52(36-43)57-48-27-12-13-28-49(48)58(50)53-37-45(31-33-51(53)57)62-67-60(40-19-6-2-7-20-40)66-61(68-62)41-21-8-3-9-22-41/h1-38,57-58H
• InChIKey: UTWPWXGPXONPFH-UHFFFAOYSA-N
• XLogP: 14.38
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.04
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2,4-diphenyl-6-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-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]-1,3,5-triazine (CID 165150680) is 2,4-diphenyl-6-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-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]-1,3,5-triazine.

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

The canonical SMILES for 2,4-diphenyl-6-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-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]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c3)cc(-c3ccccc3-c3ccccn3)n2)cc1.

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

The InChIKey is UTWPWXGPXONPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N6/c1-4-17-39(18-5-1)59-64-55(38-56(65-59)47-26-11-10-25-46(47)54-29-14-15-34-63-54)44-24-16-23-42(35-44)43-30-32-50-52(36-43)57-48-27-12-13-28-49(48)58(50)53-37-45(31-33-51(53)57)62-67-60(40-19-6-2-7-20-40)66-61(68-62)41-21-8-3-9-22-41/h1-38,57-58H.

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

2,4-diphenyl-6-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-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]-1,3,5-triazine has a molecular weight of 869.04 g/mol, XLogP of 14.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-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]-1,3,5-triazine is sourced from PubChem (CID 165150680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).