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

C44H29N3O — CID 169278835

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

2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine (PubChem CID 169278835) has the molecular formula C44H29N3O and a molecular weight of 615.74 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine
• PubChem CID: 169278835
• Molecular Formula: C44H29N3O
• Molecular Weight: 615.74 g/mol
• Exact Mass: 615.23
• IUPAC Name: 2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5ccc6ccccc6c45)n3)cc21
• InChI: InChI=1S/C44H29N3O/c1-44(2)36-19-7-5-14-30(36)31-24-23-28(25-37(31)44)41-45-42(34-17-9-12-27-22-21-26-11-3-4-13-29(26)39(27)34)47-43(46-41)35-18-10-16-33-32-15-6-8-20-38(32)48-40(33)35/h3-25H,1-2H3
• InChIKey: VLLUWKWAORKVTI-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.74
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine (CID 169278835) is 2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5ccc6ccccc6c45)n3)cc21.

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

The InChIKey is VLLUWKWAORKVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O/c1-44(2)36-19-7-5-14-30(36)31-24-23-28(25-37(31)44)41-45-42(34-17-9-12-27-22-21-26-11-3-4-13-29(26)39(27)34)47-43(46-41)35-18-10-16-33-32-15-6-8-20-38(32)48-40(33)35/h3-25H,1-2H3.

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

2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine has a molecular weight of 615.74 g/mol, XLogP of 11.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine is sourced from PubChem (CID 169278835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).