2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine

C102H70N6O4 — CID 159384957

About 2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine

2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine (PubChem CID 159384957) has the molecular formula C102H70N6O4 and a molecular weight of 1443.72 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine
• PubChem CID: 159384957
• Molecular Formula: C102H70N6O4
• Molecular Weight: 1443.72 g/mol
• Exact Mass: 1442.55
• IUPAC Name: 2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine
• SMILES: c1cc(-c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)oc3ccccc34)n2)c1.c1cc(-c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)c1
• InChI: InChI=1S/2C51H35N3O2/c1-8-27-51(28-9-1)42-22-5-2-15-34(42)41-30-32(25-26-43(41)51)31-13-10-14-33(29-31)48-52-49(39-20-11-18-37-35-16-3-6-23-44(35)55-46(37)39)54-50(53-48)40-21-12-19-38-36-17-4-7-24-45(36)56-47(38)40;1-8-25-51(26-9-1)42-16-5-2-13-36(42)41-28-32(21-24-43(41)51)31-11-10-12-33(27-31)48-52-49(34-19-22-39-37-14-3-6-17-44(37)55-46(39)29-34)54-50(53-48)35-20-23-40-38-15-4-7-18-45(38)56-47(40)30-35/h2-7,10-26,29-30H,1,8-9,27-28H2;2-7,10-24,27-30H,1,8-9,25-26H2
• InChIKey: LLJMBORNRPIPSY-UHFFFAOYSA-N
• XLogP: 27.14
• TPSA: 129.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1443.72
LogP ≤ 5	27.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine (CID 159384957) is 2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine is c1cc(-c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)oc3ccccc34)n2)c1.c1cc(-c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)c1.

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

The InChIKey is LLJMBORNRPIPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H35N3O2/c1-8-27-51(28-9-1)42-22-5-2-15-34(42)41-30-32(25-26-43(41)51)31-13-10-14-33(29-31)48-52-49(39-20-11-18-37-35-16-3-6-23-44(35)55-46(37)39)54-50(53-48)40-21-12-19-38-36-17-4-7-24-45(36)56-47(38)40;1-8-25-51(26-9-1)42-16-5-2-13-36(42)41-28-32(21-24-43(41)51)31-11-10-12-33(27-31)48-52-49(34-19-22-39-37-14-3-6-17-44(37)55-46(39)29-34)54-50(53-48)35-20-23-40-38-15-4-7-18-45(38)56-47(40)30-35/h2-7,10-26,29-30H,1,8-9,27-28H2;2-7,10-24,27-30H,1,8-9,25-26H2.

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

2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine has a molecular weight of 1443.72 g/mol, XLogP of 27.14, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 159384957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).