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

C48H35N9 — CID 176843198

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

2,4-diphenyl-6-[4-[4-phenyl-6-[3-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine (PubChem CID 176843198) has the molecular formula C48H35N9 and a molecular weight of 737.87 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[4-phenyl-6-[3-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[4-[4-phenyl-6-[3-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
• PubChem CID: 176843198
• Molecular Formula: C48H35N9
• Molecular Weight: 737.87 g/mol
• Exact Mass: 737.30
• IUPAC Name: 2,4-diphenyl-6-[4-[4-phenyl-6-[3-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
• SMILES: CC(C)c1nc(-c2ccccc2)nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)n3)c2)n1
• InChI: InChI=1S/C48H35N9/c1-31(2)40-49-41(32-16-7-3-8-17-32)55-47(50-40)38-24-15-25-39(30-38)48-56-44(35-22-13-6-14-23-35)54-46(57-48)37-28-26-36(27-29-37)45-52-42(33-18-9-4-10-19-33)51-43(53-45)34-20-11-5-12-21-34/h3-31H,1-2H3
• InChIKey: NGEXGIIRUAKMFO-UHFFFAOYSA-N
• XLogP: 10.70
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.87
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2,4-diphenyl-6-[4-[4-phenyl-6-[3-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine (CID 176843198) is 2,4-diphenyl-6-[4-[4-phenyl-6-[3-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2,4-diphenyl-6-[4-[4-phenyl-6-[3-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine is CC(C)c1nc(-c2ccccc2)nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)n3)c2)n1.

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

The InChIKey is NGEXGIIRUAKMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N9/c1-31(2)40-49-41(32-16-7-3-8-17-32)55-47(50-40)38-24-15-25-39(30-38)48-56-44(35-22-13-6-14-23-35)54-46(57-48)37-28-26-36(27-29-37)45-52-42(33-18-9-4-10-19-33)51-43(53-45)34-20-11-5-12-21-34/h3-31H,1-2H3.

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

2,4-diphenyl-6-[4-[4-phenyl-6-[3-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine has a molecular weight of 737.87 g/mol, XLogP of 10.70, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[4-[4-phenyl-6-[3-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 176843198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).