2-(4-chlorodibenzofuran-1-yl)-4-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazine

C34H24ClN3O — CID 166743688

About 2-(4-chlorodibenzofuran-1-yl)-4-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazine

2-(4-chlorodibenzofuran-1-yl)-4-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 166743688) has the molecular formula C34H24ClN3O and a molecular weight of 526.04 g/mol. Its IUPAC name is 2-(4-chlorodibenzofuran-1-yl)-4-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(4-chlorodibenzofuran-1-yl)-4-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 166743688
• Molecular Formula: C34H24ClN3O
• Molecular Weight: 526.04 g/mol
• Exact Mass: 525.16
• IUPAC Name: 2-(4-chlorodibenzofuran-1-yl)-4-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: C=C/C=C\C=C/Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Cl)c4oc5ccccc5c34)n2)cc1
• InChI: InChI=1S/C34H24ClN3O/c1-2-3-4-5-7-12-23-17-19-25(20-18-23)33-36-32(24-13-8-6-9-14-24)37-34(38-33)27-21-22-28(35)31-30(27)26-15-10-11-16-29(26)39-31/h2-11,13-22H,1,12H2/b4-3-,7-5-
• InChIKey: KKYAGDSLFFKUMR-MRWCJKGFSA-N
• XLogP: 9.27
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.04
LogP ≤ 5	9.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorodibenzofuran-1-yl)-4-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(4-chlorodibenzofuran-1-yl)-4-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazine (CID 166743688) is 2-(4-chlorodibenzofuran-1-yl)-4-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(4-chlorodibenzofuran-1-yl)-4-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(4-chlorodibenzofuran-1-yl)-4-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazine is C=C/C=C\C=C/Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Cl)c4oc5ccccc5c34)n2)cc1.

What is the InChIKey of 2-(4-chlorodibenzofuran-1-yl)-4-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is KKYAGDSLFFKUMR-MRWCJKGFSA-N. The full InChI is InChI=1S/C34H24ClN3O/c1-2-3-4-5-7-12-23-17-19-25(20-18-23)33-36-32(24-13-8-6-9-14-24)37-34(38-33)27-21-22-28(35)31-30(27)26-15-10-11-16-29(26)39-31/h2-11,13-22H,1,12H2/b4-3-,7-5-.

What are the key properties of 2-(4-chlorodibenzofuran-1-yl)-4-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazine?

2-(4-chlorodibenzofuran-1-yl)-4-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 526.04 g/mol, XLogP of 9.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorodibenzofuran-1-yl)-4-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166743688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).