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

C44H29N5 — CID 121258021

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

1-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole (PubChem CID 121258021) has the molecular formula C44H29N5 and a molecular weight of 627.75 g/mol. Its IUPAC name is 1-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole.

Molecular Properties

• Compound Name: 1-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
• PubChem CID: 121258021
• Molecular Formula: C44H29N5
• Molecular Weight: 627.75 g/mol
• Exact Mass: 627.24
• IUPAC Name: 1-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cc(-c6ccc(-n7cnc8ccccc87)cc6)ccc45)cc3)n2)cc1
• InChI: InChI=1S/C44H29N5/c1-3-10-32(11-4-1)42-46-43(33-12-5-2-6-13-33)48-44(47-42)34-20-18-31(19-21-34)38-15-9-14-36-28-35(24-27-39(36)38)30-22-25-37(26-23-30)49-29-45-40-16-7-8-17-41(40)49/h1-29H
• InChIKey: HIXNUNXKVWGOIN-UHFFFAOYSA-N
• XLogP: 10.70
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.75
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole (CID 121258021) is 1-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole.

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

The canonical SMILES for 1-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cc(-c6ccc(-n7cnc8ccccc87)cc6)ccc45)cc3)n2)cc1.

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

The InChIKey is HIXNUNXKVWGOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5/c1-3-10-32(11-4-1)42-46-43(33-12-5-2-6-13-33)48-44(47-42)34-20-18-31(19-21-34)38-15-9-14-36-28-35(24-27-39(36)38)30-22-25-37(26-23-30)49-29-45-40-16-7-8-17-41(40)49/h1-29H.

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

1-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole has a molecular weight of 627.75 g/mol, XLogP of 10.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 121258021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).