2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine

C52H31N3O2 — CID 167349465

About 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine

2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine (PubChem CID 167349465) has the molecular formula C52H31N3O2 and a molecular weight of 729.84 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine
• PubChem CID: 167349465
• Molecular Formula: C52H31N3O2
• Molecular Weight: 729.84 g/mol
• Exact Mass: 729.24
• IUPAC Name: 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine
• SMILES: c1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)nc(-c3cccc4c3oc3ccccc34)n2)cc1
• InChI: InChI=1S/C52H31N3O2/c1-2-15-32(16-3-1)34-17-4-5-20-38(34)50-53-49(54-51(55-50)39-22-14-21-37-36-19-7-11-26-45(36)57-48(37)39)33-29-30-42-40(31-33)35-18-6-8-23-41(35)52(42)43-24-9-12-27-46(43)56-47-28-13-10-25-44(47)52/h1-31H
• InChIKey: YBKFSHKQOCSURR-UHFFFAOYSA-N
• XLogP: 12.91
• TPSA: 61.04 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.84
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine (CID 167349465) is 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine is c1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)nc(-c3cccc4c3oc3ccccc34)n2)cc1.

What is the InChIKey of 2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine?

The InChIKey is YBKFSHKQOCSURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3O2/c1-2-15-32(16-3-1)34-17-4-5-20-38(34)50-53-49(54-51(55-50)39-22-14-21-37-36-19-7-11-26-45(36)57-48(37)39)33-29-30-42-40(31-33)35-18-6-8-23-41(35)52(42)43-24-9-12-27-46(43)56-47-28-13-10-25-44(47)52/h1-31H.

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

2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine has a molecular weight of 729.84 g/mol, XLogP of 12.91, 4 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-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine is sourced from PubChem (CID 167349465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).