9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole

C45H28N4 — CID 174244011

About 9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole

9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 174244011) has the molecular formula C45H28N4 and a molecular weight of 624.75 g/mol. Its IUPAC name is 9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
• PubChem CID: 174244011
• Molecular Formula: C45H28N4
• Molecular Weight: 624.75 g/mol
• Exact Mass: 624.23
• IUPAC Name: 9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
• InChI: InChI=1S/C45H28N4/c1-2-12-29(13-3-1)43-46-44(30-22-25-32(26-23-30)49-41-20-10-8-18-38(41)39-19-9-11-21-42(39)49)48-45(47-43)31-24-27-37-35-16-5-4-14-33(35)34-15-6-7-17-36(34)40(37)28-31/h1-28H
• InChIKey: DCPBJOYLLWBSLV-UHFFFAOYSA-N
• XLogP: 11.43
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.75
LogP ≤ 5	11.43
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 9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole?

The IUPAC name of 9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 174244011) is 9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole.

What is the SMILES notation for 9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole?

The canonical SMILES for 9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.

What is the InChIKey of 9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole?

The InChIKey is DCPBJOYLLWBSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4/c1-2-12-29(13-3-1)43-46-44(30-22-25-32(26-23-30)49-41-20-10-8-18-38(41)39-19-9-11-21-42(39)49)48-45(47-43)31-24-27-37-35-16-5-4-14-33(35)34-15-6-7-17-36(34)40(37)28-31/h1-28H.

What are the key properties of 9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole?

9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 624.75 g/mol, XLogP of 11.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 174244011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).