2,4-diphenyl-6-[11-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-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

C56H36N6 — CID 165150713

About 2,4-diphenyl-6-[11-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-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

2,4-diphenyl-6-[11-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-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 165150713) has the molecular formula C56H36N6 and a molecular weight of 792.95 g/mol. Its IUPAC name is 2,4-diphenyl-6-[11-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-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: 2,4-diphenyl-6-[11-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-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: 165150713
• Molecular Formula: C56H36N6
• Molecular Weight: 792.95 g/mol
• Exact Mass: 792.30
• IUPAC Name: 2,4-diphenyl-6-[11-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-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(-c2nc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)n2)cc1
• InChI: InChI=1S/C56H36N6/c1-4-12-38(13-5-1)53-58-49(37-22-20-35(21-23-37)36-28-30-57-31-29-36)34-50(59-53)41-24-26-45-47(32-41)51-43-18-10-11-19-44(43)52(45)48-33-42(25-27-46(48)51)56-61-54(39-14-6-2-7-15-39)60-55(62-56)40-16-8-3-9-17-40/h1-34,51-52H
• InChIKey: DAHHWJSHGYJTFT-UHFFFAOYSA-N
• XLogP: 12.71
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.95
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[11-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-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 2,4-diphenyl-6-[11-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-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 165150713) is 2,4-diphenyl-6-[11-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-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 2,4-diphenyl-6-[11-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-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 2,4-diphenyl-6-[11-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-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(-c2nc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[11-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-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 DAHHWJSHGYJTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-4-12-38(13-5-1)53-58-49(37-22-20-35(21-23-37)36-28-30-57-31-29-36)34-50(59-53)41-24-26-45-47(32-41)51-43-18-10-11-19-44(43)52(45)48-33-42(25-27-46(48)51)56-61-54(39-14-6-2-7-15-39)60-55(62-56)40-16-8-3-9-17-40/h1-34,51-52H.

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

2,4-diphenyl-6-[11-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-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 792.95 g/mol, XLogP of 12.71, 7 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-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-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 165150713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).