2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine

C50H40N10 — CID 176843141

About 2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine

2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine (PubChem CID 176843141) has the molecular formula C50H40N10 and a molecular weight of 780.94 g/mol. Its IUPAC name is 2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine
• PubChem CID: 176843141
• Molecular Formula: C50H40N10
• Molecular Weight: 780.94 g/mol
• Exact Mass: 780.34
• IUPAC Name: 2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine
• SMILES: CC(C)c1nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccncc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)c2)nc(C(C)C)n1
• InChI: InChI=1S/C50H40N10/c1-31(2)42-52-43(32(3)4)54-47(53-42)37-21-14-22-38(27-37)48-56-46(36-19-12-7-13-20-36)59-50(60-48)41-29-39(33-23-25-51-26-24-33)28-40(30-41)49-57-44(34-15-8-5-9-16-34)55-45(58-49)35-17-10-6-11-18-35/h5-32H,1-4H3
• InChIKey: DIYJBXIECOJOEV-UHFFFAOYSA-N
• XLogP: 11.22
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.94
LogP ≤ 5	11.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine (CID 176843141) is 2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine.

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

The canonical SMILES for 2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine is CC(C)c1nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccncc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)c2)nc(C(C)C)n1.

What is the InChIKey of 2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine?

The InChIKey is DIYJBXIECOJOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N10/c1-31(2)42-52-43(32(3)4)54-47(53-42)37-21-14-22-38(27-37)48-56-46(36-19-12-7-13-20-36)59-50(60-48)41-29-39(33-23-25-51-26-24-33)28-40(30-41)49-57-44(34-15-8-5-9-16-34)55-45(58-49)35-17-10-6-11-18-35/h5-32H,1-4H3.

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

2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine has a molecular weight of 780.94 g/mol, XLogP of 11.22, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 176843141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).