2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile

C141H87N15OS — CID 160806653

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile (PubChem CID 160806653) has the molecular formula C141H87N15OS and a molecular weight of 2039.42 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile.

Molecular Properties

• Compound Name: 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile
• PubChem CID: 160806653
• Molecular Formula: C141H87N15OS
• Molecular Weight: 2039.42 g/mol
• Exact Mass: 2037.69
• IUPAC Name: 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile
• SMILES: N#Cc1cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1cc(N2c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1cc(N2c3ccccc3C3(c4ccccc4Sc4ccccc43)c3ccccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C47H29N5O.C47H29N5S.C47H29N5/c2*48-30-33-29-34(27-28-35(33)46-50-44(31-15-3-1-4-16-31)49-45(51-46)32-17-5-2-6-18-32)52-40-23-11-7-19-36(40)47(37-20-8-12-24-41(37)52)38-21-9-13-25-42(38)53-43-26-14-10-22-39(43)47;48-30-33-29-34(27-28-35(33)46-50-44(31-15-3-1-4-16-31)49-45(51-46)32-17-5-2-6-18-32)52-42-25-13-11-23-40(42)47(41-24-12-14-26-43(41)52)38-21-9-7-19-36(38)37-20-8-10-22-39(37)47/h2*1-29H;1-29H
• InChIKey: SDTVURKVRGMTDS-UHFFFAOYSA-N
• XLogP: 33.28
• TPSA: 206.33 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2039.42
LogP ≤ 5	33.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile?

The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile (CID 160806653) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile.

What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile?

The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile is N#Cc1cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1cc(N2c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1cc(N2c3ccccc3C3(c4ccccc4Sc4ccccc43)c3ccccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile?

The InChIKey is SDTVURKVRGMTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5O.C47H29N5S.C47H29N5/c2*48-30-33-29-34(27-28-35(33)46-50-44(31-15-3-1-4-16-31)49-45(51-46)32-17-5-2-6-18-32)52-40-23-11-7-19-36(40)47(37-20-8-12-24-41(37)52)38-21-9-13-25-42(38)53-43-26-14-10-22-39(43)47;48-30-33-29-34(27-28-35(33)46-50-44(31-15-3-1-4-16-31)49-45(51-46)32-17-5-2-6-18-32)52-42-25-13-11-23-40(42)47(41-24-12-14-26-43(41)52)38-21-9-7-19-36(38)37-20-8-10-22-39(37)47/h2*1-29H;1-29H.

What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile?

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile has a molecular weight of 2039.42 g/mol, XLogP of 33.28, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile is sourced from PubChem (CID 160806653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).