5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole

C55H32N4O — CID 164714733

About 5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole

5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 164714733) has the molecular formula C55H32N4O and a molecular weight of 764.89 g/mol. Its IUPAC name is 5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
• PubChem CID: 164714733
• Molecular Formula: C55H32N4O
• Molecular Weight: 764.89 g/mol
• Exact Mass: 764.26
• IUPAC Name: 5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
• SMILES: c1ccc2cc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)ccc5oc6ccccc6c45)n3)ccc2c1
• InChI: InChI=1S/C55H32N4O/c1-2-14-34-29-38(26-25-33(34)13-1)53-56-54(45-31-37-17-5-6-18-39(37)40-19-7-8-20-41(40)45)58-55(57-53)52-47(27-28-50-51(52)43-22-10-12-24-49(43)60-50)59-46-23-11-9-21-42(46)44-30-35-15-3-4-16-36(35)32-48(44)59/h1-32H
• InChIKey: BIXODZFFSZOYGG-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.89
LogP ≤ 5	14.48
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 5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?

The IUPAC name of 5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (CID 164714733) is 5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?

The canonical SMILES for 5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is c1ccc2cc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)ccc5oc6ccccc6c45)n3)ccc2c1.

What is the InChIKey of 5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?

The InChIKey is BIXODZFFSZOYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O/c1-2-14-34-29-38(26-25-33(34)13-1)53-56-54(45-31-37-17-5-6-18-39(37)40-19-7-8-20-41(40)45)58-55(57-53)52-47(27-28-50-51(52)43-22-10-12-24-49(43)60-50)59-46-23-11-9-21-42(46)44-30-35-15-3-4-16-36(35)32-48(44)59/h1-32H.

What are the key properties of 5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?

5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 764.89 g/mol, XLogP of 14.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 164714733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).