2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine

C34H29N3O3 — CID 146600650

About 2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine

2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 146600650) has the molecular formula C34H29N3O3 and a molecular weight of 527.62 g/mol. Its IUPAC name is 2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
• PubChem CID: 146600650
• Molecular Formula: C34H29N3O3
• Molecular Weight: 527.62 g/mol
• Exact Mass: 527.22
• IUPAC Name: 2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
• SMILES: CC1(C)OC(c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)OC1(C)C
• InChI: InChI=1S/C34H29N3O3/c1-33(2)34(3,4)40-32(39-33)23-18-19-26-25(20-23)28-24(16-11-17-27(28)38-26)31-36-29(21-12-7-5-8-13-21)35-30(37-31)22-14-9-6-10-15-22/h5-20,32H,1-4H3
• InChIKey: RANYHOPEPRVNAO-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 70.27 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.62
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine (CID 146600650) is 2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine is CC1(C)OC(c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)OC1(C)C.

What is the InChIKey of 2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine?

The InChIKey is RANYHOPEPRVNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O3/c1-33(2)34(3,4)40-32(39-33)23-18-19-26-25(20-23)28-24(16-11-17-27(28)38-26)31-36-29(21-12-7-5-8-13-21)35-30(37-31)22-14-9-6-10-15-22/h5-20,32H,1-4H3.

What are the key properties of 2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine?

2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 527.62 g/mol, XLogP of 8.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 146600650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).