9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole

C56H35N5 — CID 164843360

About 9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole

9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole (PubChem CID 164843360) has the molecular formula C56H35N5 and a molecular weight of 777.93 g/mol. Its IUPAC name is 9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole
• PubChem CID: 164843360
• Molecular Formula: C56H35N5
• Molecular Weight: 777.93 g/mol
• Exact Mass: 777.29
• IUPAC Name: 9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ccccc5c4c3)n2)cc1
• InChI: InChI=1S/C56H35N5/c1-3-12-37(13-4-1)54-58-55(38-23-21-36(22-24-38)42-14-11-31-57-35-42)60-56(59-54)41-26-29-47-46-28-25-39(32-49(46)44-17-7-8-18-45(44)50(47)34-41)40-27-30-53-51(33-40)48-19-9-10-20-52(48)61(53)43-15-5-2-6-16-43/h1-35H
• InChIKey: WOVWBPMBONMLDL-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.93
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole?

The IUPAC name of 9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole (CID 164843360) is 9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole.

What is the SMILES notation for 9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole?

The canonical SMILES for 9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole is c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ccccc5c4c3)n2)cc1.

What is the InChIKey of 9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole?

The InChIKey is WOVWBPMBONMLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5/c1-3-12-37(13-4-1)54-58-55(38-23-21-36(22-24-38)42-14-11-31-57-35-42)60-56(59-54)41-26-29-47-46-28-25-39(32-49(46)44-17-7-8-18-45(44)50(47)34-41)40-27-30-53-51(33-40)48-19-9-10-20-52(48)61(53)43-15-5-2-6-16-43/h1-35H.

What are the key properties of 9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole?

9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole has a molecular weight of 777.93 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole is sourced from PubChem (CID 164843360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).