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

C122H74N6O2 — CID 157305772

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

2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 157305772) has the molecular formula C122H74N6O2 and a molecular weight of 1655.97 g/mol. Its IUPAC name is 2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 157305772
• Molecular Formula: C122H74N6O2
• Molecular Weight: 1655.97 g/mol
• Exact Mass: 1654.59
• IUPAC Name: 2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7ccc8c(ccc9ccccc98)c7)cc(-c7ccc8c(ccc9ccccc98)c7)cc6c45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7ccc8ccc9ccccc9c8c7)cc(-c7ccc8ccc9ccccc9c8c7)cc6c45)n3)c2)cc1
• InChI: InChI=1S/2C61H37N3O/c1-3-13-38(14-4-1)44-19-11-20-47(33-44)60-62-59(43-17-5-2-6-18-43)63-61(64-60)51-23-12-24-56-57(51)55-37-48(45-31-29-41-27-25-39-15-7-9-21-49(39)52(41)34-45)36-54(58(55)65-56)46-32-30-42-28-26-40-16-8-10-22-50(40)53(42)35-46;1-3-13-38(14-4-1)42-19-11-20-47(34-42)60-62-59(41-17-5-2-6-18-41)63-61(64-60)53-23-12-24-56-57(53)55-37-48(43-29-31-51-44(33-43)27-25-39-15-7-9-21-49(39)51)36-54(58(55)65-56)46-30-32-52-45(35-46)28-26-40-16-8-10-22-50(40)52/h2*1-37H
• InChIKey: BCLIFNKWVYECBD-UHFFFAOYSA-N
• XLogP: 32.77
• TPSA: 103.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1655.97
LogP ≤ 5	32.77
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-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 157305772) is 2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7ccc8c(ccc9ccccc98)c7)cc(-c7ccc8c(ccc9ccccc98)c7)cc6c45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7ccc8ccc9ccccc9c8c7)cc(-c7ccc8ccc9ccccc9c8c7)cc6c45)n3)c2)cc1.

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

The InChIKey is BCLIFNKWVYECBD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C61H37N3O/c1-3-13-38(14-4-1)44-19-11-20-47(33-44)60-62-59(43-17-5-2-6-18-43)63-61(64-60)51-23-12-24-56-57(51)55-37-48(45-31-29-41-27-25-39-15-7-9-21-49(39)52(41)34-45)36-54(58(55)65-56)46-32-30-42-28-26-40-16-8-10-22-50(40)53(42)35-46;1-3-13-38(14-4-1)42-19-11-20-47(34-42)60-62-59(41-17-5-2-6-18-41)63-61(64-60)53-23-12-24-56-57(53)55-37-48(43-29-31-51-44(33-43)27-25-39-15-7-9-21-49(39)51)36-54(58(55)65-56)46-30-32-52-45(35-46)28-26-40-16-8-10-22-50(40)52/h2*1-37H.

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

2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 1655.97 g/mol, XLogP of 32.77, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6,8-di(phenanthren-2-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[6,8-di(phenanthren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 157305772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).