5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine

C52H51NO — CID 176594814

About 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine

5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine (PubChem CID 176594814) has the molecular formula C52H51NO and a molecular weight of 705.99 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine.

Molecular Properties

• Compound Name: 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
• PubChem CID: 176594814
• Molecular Formula: C52H51NO
• Molecular Weight: 705.99 g/mol
• Exact Mass: 705.40
• IUPAC Name: 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
• SMILES: CC1(C)CCC(C)(C)c2c(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)C5CC6CC(C5)CC4C6)cc3)c3cccc4ccccc34)cccc21
• InChI: InChI=1S/C52H51NO/c1-50(2)25-26-51(3,4)49-43(50)15-10-17-46(49)53(45-16-9-12-36-11-5-6-13-41(36)45)40-22-19-35(20-23-40)37-21-24-48-44(32-37)52(42-14-7-8-18-47(42)54-48)38-28-33-27-34(30-38)31-39(52)29-33/h5-24,32-34,38-39H,25-31H2,1-4H3
• InChIKey: JQHSVXJQBSAYFV-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.99
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine?

The IUPAC name of 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine (CID 176594814) is 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine.

What is the SMILES notation for 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine?

The canonical SMILES for 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine is CC1(C)CCC(C)(C)c2c(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)C5CC6CC(C5)CC4C6)cc3)c3cccc4ccccc34)cccc21.

What is the InChIKey of 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine?

The InChIKey is JQHSVXJQBSAYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H51NO/c1-50(2)25-26-51(3,4)49-43(50)15-10-17-46(49)53(45-16-9-12-36-11-5-6-13-41(36)45)40-22-19-35(20-23-40)37-21-24-48-44(32-37)52(42-14-7-8-18-47(42)54-48)38-28-33-27-34(30-38)31-39(52)29-33/h5-24,32-34,38-39H,25-31H2,1-4H3.

What are the key properties of 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine?

5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine has a molecular weight of 705.99 g/mol, XLogP of 14.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine is sourced from PubChem (CID 176594814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).