2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine

C55H31N3O2 — CID 174198624

About 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine

2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine (PubChem CID 174198624) has the molecular formula C55H31N3O2 and a molecular weight of 765.87 g/mol. Its IUPAC name is 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine
• PubChem CID: 174198624
• Molecular Formula: C55H31N3O2
• Molecular Weight: 765.87 g/mol
• Exact Mass: 765.24
• IUPAC Name: 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine
• SMILES: c1ccc2cc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc7cc8c(cc7c6)oc6ccccc68)nc(-c6ccc7c(ccc8ccccc87)c6)n5)c34)ccc2c1
• InChI: InChI=1S/C55H31N3O2/c1-2-10-34-26-35(18-16-32(34)8-1)37-22-25-45-50(30-37)60-49-15-7-13-46(52(45)49)55-57-53(39-21-19-36-29-47-44-12-5-6-14-48(44)59-51(47)31-41(36)28-39)56-54(58-55)40-23-24-43-38(27-40)20-17-33-9-3-4-11-42(33)43/h1-31H
• InChIKey: MJCKVNRWUBAHTN-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.87
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine?

The IUPAC name of 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine (CID 174198624) is 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine?

The canonical SMILES for 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine is c1ccc2cc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc7cc8c(cc7c6)oc6ccccc68)nc(-c6ccc7c(ccc8ccccc87)c6)n5)c34)ccc2c1.

What is the InChIKey of 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine?

The InChIKey is MJCKVNRWUBAHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31N3O2/c1-2-10-34-26-35(18-16-32(34)8-1)37-22-25-45-50(30-37)60-49-15-7-13-46(52(45)49)55-57-53(39-21-19-36-29-47-44-12-5-6-14-48(44)59-51(47)31-41(36)28-39)56-54(58-55)40-23-24-43-38(27-40)20-17-33-9-3-4-11-42(33)43/h1-31H.

What are the key properties of 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine?

2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine has a molecular weight of 765.87 g/mol, XLogP of 14.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine is sourced from PubChem (CID 174198624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).