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

C51H32N4 — CID 167377814

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

9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-1-yl]carbazole (PubChem CID 167377814) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-1-yl]carbazole
• PubChem CID: 167377814
• Molecular Formula: C51H32N4
• Molecular Weight: 700.85 g/mol
• Exact Mass: 700.26
• IUPAC Name: 9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-1-yl]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6ccccc65)c5c6ccccc6c6ccccc6c5c4)n3)cc2)cc1
• InChI: InChI=1S/C51H32N4/c1-3-15-33(16-4-1)34-27-29-36(30-28-34)50-52-49(35-17-5-2-6-18-35)53-51(54-50)37-31-44-40-21-8-7-19-38(40)39-20-9-10-24-43(39)48(44)47(32-37)55-45-25-13-11-22-41(45)42-23-12-14-26-46(42)55/h1-32H
• InChIKey: DOEKVWGIZKFZGF-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.85
LogP ≤ 5	13.10
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-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-1-yl]carbazole?

The IUPAC name of 9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-1-yl]carbazole (CID 167377814) is 9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-1-yl]carbazole.

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

The canonical SMILES for 9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-1-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6ccccc65)c5c6ccccc6c6ccccc6c5c4)n3)cc2)cc1.

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

The InChIKey is DOEKVWGIZKFZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-3-15-33(16-4-1)34-27-29-36(30-28-34)50-52-49(35-17-5-2-6-18-35)53-51(54-50)37-31-44-40-21-8-7-19-38(40)39-20-9-10-24-43(39)48(44)47(32-37)55-45-25-13-11-22-41(45)42-23-12-14-26-46(42)55/h1-32H.

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

9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-1-yl]carbazole has a molecular weight of 700.85 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-1-yl]carbazole is sourced from PubChem (CID 167377814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).