3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole

C55H34N4 — CID 138600342

About 3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole

3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole (PubChem CID 138600342) has the molecular formula C55H34N4 and a molecular weight of 750.91 g/mol. Its IUPAC name is 3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

• Compound Name: 3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole
• PubChem CID: 138600342
• Molecular Formula: C55H34N4
• Molecular Weight: 750.91 g/mol
• Exact Mass: 750.28
• IUPAC Name: 3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3c3cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c34)n2)cc1
• InChI: InChI=1S/C55H34N4/c1-3-15-36(16-4-1)53-56-54(37-17-5-2-6-18-37)58-55(57-53)40-27-30-47-48(34-40)44-21-10-9-20-43(44)46-24-13-23-42(52(46)47)39-28-31-51-49(33-39)45-22-11-12-25-50(45)59(51)41-29-26-35-14-7-8-19-38(35)32-41/h1-34H
• InChIKey: IZWMGBVFHYZBON-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.91
LogP ≤ 5	14.25
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 3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole?

The IUPAC name of 3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole (CID 138600342) is 3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole.

What is the SMILES notation for 3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole?

The canonical SMILES for 3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3c3cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c34)n2)cc1.

What is the InChIKey of 3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole?

The InChIKey is IZWMGBVFHYZBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4/c1-3-15-36(16-4-1)53-56-54(37-17-5-2-6-18-37)58-55(57-53)40-27-30-47-48(34-40)44-21-10-9-20-43(44)46-24-13-23-42(52(46)47)39-28-31-51-49(33-39)45-22-11-12-25-50(45)59(51)41-29-26-35-14-7-8-19-38(35)32-41/h1-34H.

What are the key properties of 3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole?

3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole has a molecular weight of 750.91 g/mol, XLogP of 14.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 138600342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).