2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine

C64H35N3OS2 — CID 164720901

About 2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine (PubChem CID 164720901) has the molecular formula C64H35N3OS2 and a molecular weight of 926.14 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine
• PubChem CID: 164720901
• Molecular Formula: C64H35N3OS2
• Molecular Weight: 926.14 g/mol
• Exact Mass: 925.22
• IUPAC Name: 2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)sc4ccc6c(c45)C4(c5ccccc5-c5ccccc54)c4cc5sc7ccccc7c5cc4-6)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
• InChI: InChI=1S/C64H35N3OS2/c1-2-13-36(14-3-1)61-65-62(67-63(66-61)40-26-27-44-43-19-6-10-23-53(43)68-54(44)32-40)39-16-12-15-37(31-39)38-25-28-47-57(33-38)70-56-30-29-46-48-34-49-45-20-7-11-24-55(45)69-58(49)35-52(48)64(60(46)59(47)56)50-21-8-4-17-41(50)42-18-5-9-22-51(42)64/h1-35H
• InChIKey: KJEUABVSZLIVEF-UHFFFAOYSA-N
• XLogP: 17.52
• TPSA: 51.81 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.14
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine (CID 164720901) is 2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)sc4ccc6c(c45)C4(c5ccccc5-c5ccccc54)c4cc5sc7ccccc7c5cc4-6)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.

What is the InChIKey of 2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine?

The InChIKey is KJEUABVSZLIVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H35N3OS2/c1-2-13-36(14-3-1)61-65-62(67-63(66-61)40-26-27-44-43-19-6-10-23-53(43)68-54(44)32-40)39-16-12-15-37(31-39)38-25-28-47-57(33-38)70-56-30-29-46-48-34-49-45-20-7-11-24-55(45)69-58(49)35-52(48)64(60(46)59(47)56)50-21-8-4-17-41(50)42-18-5-9-22-51(42)64/h1-35H.

What are the key properties of 2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine?

2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine has a molecular weight of 926.14 g/mol, XLogP of 17.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164720901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).