2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine

C51H35N3O2 — CID 130232493

About 2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine (PubChem CID 130232493) has the molecular formula C51H35N3O2 and a molecular weight of 721.86 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
• PubChem CID: 130232493
• Molecular Formula: C51H35N3O2
• Molecular Weight: 721.86 g/mol
• Exact Mass: 721.27
• IUPAC Name: 2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)oc4cc6c(cc45)C(C)(C)c4ccccc4-6)nc(-c4cccc5c4oc4ccccc45)n3)cc21
• InChI: InChI=1S/C51H35N3O2/c1-50(2)39-17-8-5-12-30(39)32-22-20-28(24-41(32)50)47-52-48(54-49(53-47)36-16-11-15-35-33-14-7-10-19-43(33)56-46(35)36)29-21-23-34-38-26-42-37(27-45(38)55-44(34)25-29)31-13-6-9-18-40(31)51(42,3)4/h5-27H,1-4H3
• InChIKey: QZQIWORMXALXGH-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.86
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine (CID 130232493) is 2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)oc4cc6c(cc45)C(C)(C)c4ccccc4-6)nc(-c4cccc5c4oc4ccccc45)n3)cc21.

What is the InChIKey of 2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine?

The InChIKey is QZQIWORMXALXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3O2/c1-50(2)39-17-8-5-12-30(39)32-22-20-28(24-41(32)50)47-52-48(54-49(53-47)36-16-11-15-35-33-14-7-10-19-43(33)56-46(35)36)29-21-23-34-38-26-42-37(27-45(38)55-44(34)25-29)31-13-6-9-18-40(31)51(42,3)4/h5-27H,1-4H3.

What are the key properties of 2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine?

2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine has a molecular weight of 721.86 g/mol, XLogP of 13.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine is sourced from PubChem (CID 130232493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).