2-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine

C54H34N6O2 — CID 156706480

About 2-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine

2-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine (PubChem CID 156706480) has the molecular formula C54H34N6O2 and a molecular weight of 798.91 g/mol. Its IUPAC name is 2-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine
• PubChem CID: 156706480
• Molecular Formula: C54H34N6O2
• Molecular Weight: 798.91 g/mol
• Exact Mass: 798.27
• IUPAC Name: 2-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine
• SMILES: C=C/C=C(\C=C)c1nc(-c2ccccc2)nc(-c2cccc3c2oc2c(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cccc23)n1
• InChI: InChI=1S/C54H34N6O2/c1-3-17-33(4-2)49-55-50(34-18-8-5-9-19-34)60-54(57-49)42-28-15-26-40-39-25-14-24-38(47(39)62-48(40)42)37-30-31-44-43(32-37)46-41(27-16-29-45(46)61-44)53-58-51(35-20-10-6-11-21-35)56-52(59-53)36-22-12-7-13-23-36/h3-32H,1-2H2/b33-17+
• InChIKey: KWCUGQTZHQPRMS-ATZGPIRCSA-N
• XLogP: 13.61
• TPSA: 103.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.91
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine (CID 156706480) is 2-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine is C=C/C=C(\C=C)c1nc(-c2ccccc2)nc(-c2cccc3c2oc2c(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cccc23)n1.

What is the InChIKey of 2-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine?

The InChIKey is KWCUGQTZHQPRMS-ATZGPIRCSA-N. The full InChI is InChI=1S/C54H34N6O2/c1-3-17-33(4-2)49-55-50(34-18-8-5-9-19-34)60-54(57-49)42-28-15-26-40-39-25-14-24-38(47(39)62-48(40)42)37-30-31-44-43(32-37)46-41(27-16-29-45(46)61-44)53-58-51(35-20-10-6-11-21-35)56-52(59-53)36-22-12-7-13-23-36/h3-32H,1-2H2/b33-17+.

What are the key properties of 2-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine?

2-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 798.91 g/mol, XLogP of 13.61, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 156706480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).