2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine

C45H29N7 — CID 126727033

About 2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine

2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 126727033) has the molecular formula C45H29N7 and a molecular weight of 667.78 g/mol. Its IUPAC name is 2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 126727033
• Molecular Formula: C45H29N7
• Molecular Weight: 667.78 g/mol
• Exact Mass: 667.25
• IUPAC Name: 2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c5ccccc45)nc3)n2)cc1
• InChI: InChI=1S/C45H29N7/c1-3-13-30(14-4-1)43-50-44(31-15-5-2-6-16-31)52-45(51-43)32-21-24-38(48-29-32)37-23-22-34(35-17-7-8-18-36(35)37)33-27-41(39-19-9-11-25-46-39)49-42(28-33)40-20-10-12-26-47-40/h1-29H
• InChIKey: PGCPEXPCSGNSLP-UHFFFAOYSA-N
• XLogP: 10.27
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.78
LogP ≤ 5	10.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine (CID 126727033) is 2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c5ccccc45)nc3)n2)cc1.

What is the InChIKey of 2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is PGCPEXPCSGNSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N7/c1-3-13-30(14-4-1)43-50-44(31-15-5-2-6-16-31)52-45(51-43)32-21-24-38(48-29-32)37-23-22-34(35-17-7-8-18-36(35)37)33-27-41(39-19-9-11-25-46-39)49-42(28-33)40-20-10-12-26-47-40/h1-29H.

What are the key properties of 2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?

2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 667.78 g/mol, XLogP of 10.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 126727033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).