2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C114H70N6O2 — CID 159639509

About 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 159639509) has the molecular formula C114H70N6O2 and a molecular weight of 1555.85 g/mol. Its IUPAC name is 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 159639509
• Molecular Formula: C114H70N6O2
• Molecular Weight: 1555.85 g/mol
• Exact Mass: 1554.56
• IUPAC Name: 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7ccc8c(ccc9ccccc98)c7)cc(-c7ccc8c(ccc9ccccc98)c7)cc6c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7ccc8ccccc8c7)cc(-c7ccc8ccccc8c7)cc6c45)n3)cc2)cc1
• InChI: InChI=1S/C61H37N3O.C53H33N3O/c1-3-12-38(13-4-1)39-22-26-43(27-23-39)60-62-59(42-16-5-2-6-17-42)63-61(64-60)53-20-11-21-56-57(53)55-37-48(44-30-32-51-45(34-44)28-24-40-14-7-9-18-49(40)51)36-54(58(55)65-56)47-31-33-52-46(35-47)29-25-41-15-8-10-19-50(41)52;1-3-12-34(13-4-1)37-22-26-39(27-23-37)52-54-51(38-16-5-2-6-17-38)55-53(56-52)45-20-11-21-48-49(45)47-33-44(42-28-24-35-14-7-9-18-40(35)30-42)32-46(50(47)57-48)43-29-25-36-15-8-10-19-41(36)31-43/h1-37H;1-33H
• InChIKey: MQEBJUJHMXDYOZ-UHFFFAOYSA-N
• XLogP: 30.47
• TPSA: 103.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1555.85
LogP ≤ 5	30.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 159639509) is 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7ccc8c(ccc9ccccc98)c7)cc(-c7ccc8c(ccc9ccccc98)c7)cc6c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7ccc8ccccc8c7)cc(-c7ccc8ccccc8c7)cc6c45)n3)cc2)cc1.

What is the InChIKey of 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is MQEBJUJHMXDYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N3O.C53H33N3O/c1-3-12-38(13-4-1)39-22-26-43(27-23-39)60-62-59(42-16-5-2-6-17-42)63-61(64-60)53-20-11-21-56-57(53)55-37-48(44-30-32-51-45(34-44)28-24-40-14-7-9-18-49(40)51)36-54(58(55)65-56)47-31-33-52-46(35-47)29-25-41-15-8-10-19-50(41)52;1-3-12-34(13-4-1)37-22-26-39(27-23-37)52-54-51(38-16-5-2-6-17-38)55-53(56-52)45-20-11-21-48-49(45)47-33-44(42-28-24-35-14-7-9-18-40(35)30-42)32-46(50(47)57-48)43-29-25-36-15-8-10-19-41(36)31-43/h1-37H;1-33H.

What are the key properties of 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 1555.85 g/mol, XLogP of 30.47, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 159639509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).