2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole

C52H30N4O2 — CID 170776708

About 2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole

2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole (PubChem CID 170776708) has the molecular formula C52H30N4O2 and a molecular weight of 742.84 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole
• PubChem CID: 170776708
• Molecular Formula: C52H30N4O2
• Molecular Weight: 742.84 g/mol
• Exact Mass: 742.24
• IUPAC Name: 2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole
• SMILES: c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4c5oc(-c6ccc7ccccc7c6)nc5cc5oc6ccccc6c45)cc4ccccc34)n2)cc1
• InChI: InChI=1S/C52H30N4O2/c1-2-14-33(15-3-1)49-54-50(37-24-22-31-12-4-6-16-34(31)26-37)56-51(55-49)42-29-39(28-36-18-8-9-19-40(36)42)46-47-41-20-10-11-21-44(41)57-45(47)30-43-48(46)58-52(53-43)38-25-23-32-13-5-7-17-35(32)27-38/h1-30H
• InChIKey: DMRXWCHKNKTTLC-UHFFFAOYSA-N
• XLogP: 13.71
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.84
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole?

The IUPAC name of 2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole (CID 170776708) is 2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole.

What is the SMILES notation for 2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole?

The canonical SMILES for 2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4c5oc(-c6ccc7ccccc7c6)nc5cc5oc6ccccc6c45)cc4ccccc34)n2)cc1.

What is the InChIKey of 2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole?

The InChIKey is DMRXWCHKNKTTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O2/c1-2-14-33(15-3-1)49-54-50(37-24-22-31-12-4-6-16-34(31)26-37)56-51(55-49)42-29-39(28-36-18-8-9-19-40(36)42)46-47-41-20-10-11-21-44(41)57-45(47)30-43-48(46)58-52(53-43)38-25-23-32-13-5-7-17-35(32)27-38/h1-30H.

What are the key properties of 2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole?

2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole has a molecular weight of 742.84 g/mol, XLogP of 13.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole is sourced from PubChem (CID 170776708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).