2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]

C56H36N4 — CID 146495790

About 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]

2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 146495790) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]
• PubChem CID: 146495790
• Molecular Formula: C56H36N4
• Molecular Weight: 764.93 g/mol
• Exact Mass: 764.29
• IUPAC Name: 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5N6c5ccccc5)cc34)n2)cc1
• InChI: InChI=1S/C56H36N4/c1-4-17-38(18-5-1)53-57-54(39-19-6-2-7-20-39)59-55(58-53)45-26-16-21-37-31-32-40(35-46(37)45)41-33-34-52-50(36-41)56(47-27-12-10-24-43(47)44-25-11-13-28-48(44)56)49-29-14-15-30-51(49)60(52)42-22-8-3-9-23-42/h1-36H
• InChIKey: BZTXFSNXWKLDJD-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.93
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]?

The IUPAC name of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene] (CID 146495790) is 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene].

What is the SMILES notation for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]?

The canonical SMILES for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene] is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5N6c5ccccc5)cc34)n2)cc1.

What is the InChIKey of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]?

The InChIKey is BZTXFSNXWKLDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-4-17-38(18-5-1)53-57-54(39-19-6-2-7-20-39)59-55(58-53)45-26-16-21-37-31-32-40(35-46(37)45)41-33-34-52-50(36-41)56(47-27-12-10-24-43(47)44-25-11-13-28-48(44)56)49-29-14-15-30-51(49)60(52)42-22-8-3-9-23-42/h1-36H.

What are the key properties of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]?

2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 764.93 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 146495790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).