2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine

C58H37N3O — CID 155042565

About 2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine

2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine (PubChem CID 155042565) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine
• PubChem CID: 155042565
• Molecular Formula: C58H37N3O
• Molecular Weight: 791.95 g/mol
• Exact Mass: 791.29
• IUPAC Name: 2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine
• SMILES: c1ccc2c(c1)-c1cc3ccccc3cc1CCC2c1c(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)ccc2oc3ccccc3c12
• InChI: InChI=1S/C58H37N3O/c1-2-13-37-32-42(24-21-35(37)11-1)56-59-57(43-26-27-45-40(33-43)23-22-36-12-5-6-16-44(36)45)61-58(60-56)50-29-30-53-55(49-19-9-10-20-52(49)62-53)54(50)48-28-25-41-31-38-14-3-4-15-39(38)34-51(41)47-18-8-7-17-46(47)48/h1-24,26-27,29-34,48H,25,28H2
• InChIKey: PHZLADQOQBZXGR-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.95
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine?

The IUPAC name of 2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine (CID 155042565) is 2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine.

What is the SMILES notation for 2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine?

The canonical SMILES for 2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine is c1ccc2c(c1)-c1cc3ccccc3cc1CCC2c1c(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)ccc2oc3ccccc3c12.

What is the InChIKey of 2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine?

The InChIKey is PHZLADQOQBZXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-2-13-37-32-42(24-21-35(37)11-1)56-59-57(43-26-27-45-40(33-43)23-22-36-12-5-6-16-44(36)45)61-58(60-56)50-29-30-53-55(49-19-9-10-20-52(49)62-53)54(50)48-28-25-41-31-38-14-3-4-15-39(38)34-51(41)47-18-8-7-17-46(47)48/h1-24,26-27,29-34,48H,25,28H2.

What are the key properties of 2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine?

2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine has a molecular weight of 791.95 g/mol, XLogP of 15.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine is sourced from PubChem (CID 155042565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).