2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine

C53H31N3O2 — CID 170016984

About 2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine

2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 170016984) has the molecular formula C53H31N3O2 and a molecular weight of 741.85 g/mol. Its IUPAC name is 2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
• PubChem CID: 170016984
• Molecular Formula: C53H31N3O2
• Molecular Weight: 741.85 g/mol
• Exact Mass: 741.24
• IUPAC Name: 2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc5oc6cc7ccccc7cc6c5c4)nc(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)n3)c3ccccc23)cc1
• InChI: InChI=1S/C53H31N3O2/c1-3-13-32(14-4-1)37-24-26-41(40-20-10-9-19-39(37)40)52-54-51(36-23-28-47-44(30-36)45-29-34-17-7-8-18-35(34)31-48(45)57-47)55-53(56-52)43-27-25-38(33-15-5-2-6-16-33)50-49(43)42-21-11-12-22-46(42)58-50/h1-31H
• InChIKey: VPUGFNXGEXEGLZ-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.85
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?

The IUPAC name of 2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 170016984) is 2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.

What is the SMILES notation for 2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?

The canonical SMILES for 2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5oc6cc7ccccc7cc6c5c4)nc(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)n3)c3ccccc23)cc1.

What is the InChIKey of 2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?

The InChIKey is VPUGFNXGEXEGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3O2/c1-3-13-32(14-4-1)37-24-26-41(40-20-10-9-19-39(37)40)52-54-51(36-23-28-47-44(30-36)45-29-34-17-7-8-18-35(34)31-48(45)57-47)55-53(56-52)43-27-25-38(33-15-5-2-6-16-33)50-49(43)42-21-11-12-22-46(42)58-50/h1-31H.

What are the key properties of 2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?

2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 741.85 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 170016984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).