2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine

C50H33N3O — CID 176588323

About 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 176588323) has the molecular formula C50H33N3O and a molecular weight of 691.83 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
• PubChem CID: 176588323
• Molecular Formula: C50H33N3O
• Molecular Weight: 691.83 g/mol
• Exact Mass: 691.26
• IUPAC Name: 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc(-c5ccc6ccccc6c5)c5ccccc45)n3)cc21
• InChI: InChI=1S/C50H33N3O/c1-50(2)43-17-9-7-15-38(43)39-23-21-33(28-44(39)50)47-51-48(34-22-24-41-40-16-8-10-18-45(40)54-46(41)29-34)53-49(52-47)42-26-25-35(36-13-5-6-14-37(36)42)32-20-19-30-11-3-4-12-31(30)27-32/h3-29H,1-2H3
• InChIKey: BIOZPJLPQXRJPP-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.83
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine (CID 176588323) is 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc(-c5ccc6ccccc6c5)c5ccccc45)n3)cc21.

What is the InChIKey of 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine?

The InChIKey is BIOZPJLPQXRJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3O/c1-50(2)43-17-9-7-15-38(43)39-23-21-33(28-44(39)50)47-51-48(34-22-24-41-40-16-8-10-18-45(40)54-46(41)29-34)53-49(52-47)42-26-25-35(36-13-5-6-14-37(36)42)32-20-19-30-11-3-4-12-31(30)27-32/h3-29H,1-2H3.

What are the key properties of 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine?

2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 691.83 g/mol, XLogP of 13.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 176588323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).