2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine

C54H35N3O2 — CID 166002258

About 2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 166002258) has the molecular formula C54H35N3O2 and a molecular weight of 757.89 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 166002258
• Molecular Formula: C54H35N3O2
• Molecular Weight: 757.89 g/mol
• Exact Mass: 757.27
• IUPAC Name: 2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc8oc9ccccc9c78)n6)c5c4c3)cc21
• InChI: InChI=1S/C54H35N3O2/c1-54(2)43-21-8-6-17-37(43)38-27-25-35(31-44(38)54)34-26-28-46-42(30-34)50-41(20-12-24-48(50)59-46)53-56-51(36-16-10-15-33(29-36)32-13-4-3-5-14-32)55-52(57-53)40-19-11-23-47-49(40)39-18-7-9-22-45(39)58-47/h3-31H,1-2H3
• InChIKey: PAGWWVLUQFTIIK-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.89
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 166002258) is 2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc8oc9ccccc9c78)n6)c5c4c3)cc21.

What is the InChIKey of 2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?

The InChIKey is PAGWWVLUQFTIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O2/c1-54(2)43-21-8-6-17-37(43)38-27-25-35(31-44(38)54)34-26-28-46-42(30-34)50-41(20-12-24-48(50)59-46)53-56-51(36-16-10-15-33(29-36)32-13-4-3-5-14-32)55-52(57-53)40-19-11-23-47-49(40)39-18-7-9-22-45(39)58-47/h3-31H,1-2H3.

What are the key properties of 2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?

2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 757.89 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166002258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).