2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine

C51H33N3O — CID 135233593

About 2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine (PubChem CID 135233593) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine
• PubChem CID: 135233593
• Molecular Formula: C51H33N3O
• Molecular Weight: 703.85 g/mol
• Exact Mass: 703.26
• IUPAC Name: 2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine
• SMILES: C1=CC2Oc3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3C2C=C1c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C51H33N3O/c1-3-12-33(13-4-1)49-52-50(34-14-5-2-6-15-34)54-51(53-49)35-24-22-32(23-25-35)36-27-29-46-45(30-36)48-38(20-11-21-47(48)55-46)37-26-28-43-41-18-8-7-16-39(41)40-17-9-10-19-42(40)44(43)31-37/h1-31,45-46H
• InChIKey: HCKNECANWUIVFW-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 47.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.85
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine (CID 135233593) is 2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine is C1=CC2Oc3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3C2C=C1c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine?

The InChIKey is HCKNECANWUIVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-3-12-33(13-4-1)49-52-50(34-14-5-2-6-15-34)54-51(53-49)35-24-22-32(23-25-35)36-27-29-46-45(30-36)48-38(20-11-21-47(48)55-46)37-26-28-43-41-18-8-7-16-39(41)40-17-9-10-19-42(40)44(43)31-37/h1-31,45-46H.

What are the key properties of 2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine?

2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 703.85 g/mol, XLogP of 12.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 135233593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).