2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine

C80H61NO2S — CID 174286785

About 2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine

2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 174286785) has the molecular formula C80H61NO2S and a molecular weight of 1100.44 g/mol. Its IUPAC name is 2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

• Compound Name: 2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
• PubChem CID: 174286785
• Molecular Formula: C80H61NO2S
• Molecular Weight: 1100.44 g/mol
• Exact Mass: 1099.44
• IUPAC Name: 2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
• SMILES: c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5cc(C6CCCCC6)ccc5Oc5ccc(C6CCCCC6)cc53)c3ccccc3-4)c3ccccc3-c3cccc4oc5ccccc5c34)cc21
• InChI: InChI=1S/C80H61NO2S/c1-3-20-50(21-4-1)52-38-44-73-69(46-52)80(70-47-53(39-45-74(70)83-73)51-22-5-2-6-23-51)64-30-12-8-25-57(64)59-43-41-55(49-68(59)80)81(71-33-15-9-26-60(71)61-28-19-35-75-78(61)62-27-10-16-34-72(62)82-75)54-40-42-58-56-24-7-11-29-63(56)79(67(58)48-54)65-31-13-17-36-76(65)84-77-37-18-14-32-66(77)79/h7-19,24-51H,1-6,20-23H2
• InChIKey: XGVJIPYVHXCDDW-UHFFFAOYSA-N
• XLogP: 22.11
• TPSA: 25.61 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1100.44
LogP ≤ 5	22.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?

The IUPAC name of 2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 174286785) is 2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine.

What is the SMILES notation for 2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?

The canonical SMILES for 2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine is c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5cc(C6CCCCC6)ccc5Oc5ccc(C6CCCCC6)cc53)c3ccccc3-4)c3ccccc3-c3cccc4oc5ccccc5c34)cc21.

What is the InChIKey of 2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?

The InChIKey is XGVJIPYVHXCDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H61NO2S/c1-3-20-50(21-4-1)52-38-44-73-69(46-52)80(70-47-53(39-45-74(70)83-73)51-22-5-2-6-23-51)64-30-12-8-25-57(64)59-43-41-55(49-68(59)80)81(71-33-15-9-26-60(71)61-28-19-35-75-78(61)62-27-10-16-34-72(62)82-75)54-40-42-58-56-24-7-11-29-63(56)79(67(58)48-54)65-31-13-17-36-76(65)84-77-37-18-14-32-66(77)79/h7-19,24-51H,1-6,20-23H2.

What are the key properties of 2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?

2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 1100.44 g/mol, XLogP of 22.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 174286785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).