2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C43H27N3O2 — CID 170292410

About 2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 170292410) has the molecular formula C43H27N3O2 and a molecular weight of 617.71 g/mol. Its IUPAC name is 2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
• PubChem CID: 170292410
• Molecular Formula: C43H27N3O2
• Molecular Weight: 617.71 g/mol
• Exact Mass: 617.21
• IUPAC Name: 2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
• SMILES: C=C/C=C\c1oc2cccc(-c3cccc4c3oc3ccccc34)c2c1-c1nc(-c2ccccc2)nc(-c2ccc3ccccc3c2)n1
• InChI: InChI=1S/C43H27N3O2/c1-2-3-21-37-39(38-32(18-12-23-36(38)47-37)34-20-11-19-33-31-17-9-10-22-35(31)48-40(33)34)43-45-41(28-14-5-4-6-15-28)44-42(46-43)30-25-24-27-13-7-8-16-29(27)26-30/h2-26H,1H2/b21-3-
• InChIKey: DFORETFIXIVPOB-OSSHXBFKSA-N
• XLogP: 11.54
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.71
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 170292410) is 2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is C=C/C=C\c1oc2cccc(-c3cccc4c3oc3ccccc34)c2c1-c1nc(-c2ccccc2)nc(-c2ccc3ccccc3c2)n1.

What is the InChIKey of 2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

The InChIKey is DFORETFIXIVPOB-OSSHXBFKSA-N. The full InChI is InChI=1S/C43H27N3O2/c1-2-3-21-37-39(38-32(18-12-23-36(38)47-37)34-20-11-19-33-31-17-9-10-22-35(31)48-40(33)34)43-45-41(28-14-5-4-6-15-28)44-42(46-43)30-25-24-27-13-7-8-16-29(27)26-30/h2-26H,1H2/b21-3-.

What are the key properties of 2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 617.71 g/mol, XLogP of 11.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(1Z)-buta-1,3-dienyl]-4-dibenzofuran-4-yl-1-benzofuran-3-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170292410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).