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

C54H53NO — CID 176595119

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

5,5,8,8-tetramethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-xanthene]-1'-ylphenyl)-6,7-dihydronaphthalen-2-amine (PubChem CID 176595119) has the molecular formula C54H53NO and a molecular weight of 732.02 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-xanthene]-1'-ylphenyl)-6,7-dihydronaphthalen-2-amine.

Molecular Properties

• Compound Name: 5,5,8,8-tetramethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-xanthene]-1'-ylphenyl)-6,7-dihydronaphthalen-2-amine
• PubChem CID: 176595119
• Molecular Formula: C54H53NO
• Molecular Weight: 732.02 g/mol
• Exact Mass: 731.41
• IUPAC Name: 5,5,8,8-tetramethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-xanthene]-1'-ylphenyl)-6,7-dihydronaphthalen-2-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4C4(c6ccccc6O5)C5CC6CC(C5)CC4C6)cc3)ccc21
• InChI: InChI=1S/C54H53NO/c1-52(2)27-28-53(3,4)48-34-44(25-26-46(48)52)55(42-21-17-38(18-22-42)37-11-6-5-7-12-37)43-23-19-39(20-24-43)45-13-10-16-50-51(45)54(47-14-8-9-15-49(47)56-50)40-30-35-29-36(32-40)33-41(54)31-35/h5-26,34-36,40-41H,27-33H2,1-4H3
• InChIKey: ACXVOZIZMPBIHJ-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.02
LogP ≤ 5	14.69
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-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-xanthene]-1'-ylphenyl)-6,7-dihydronaphthalen-2-amine?

The IUPAC name of 5,5,8,8-tetramethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-xanthene]-1'-ylphenyl)-6,7-dihydronaphthalen-2-amine (CID 176595119) is 5,5,8,8-tetramethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-xanthene]-1'-ylphenyl)-6,7-dihydronaphthalen-2-amine.

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

The canonical SMILES for 5,5,8,8-tetramethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-xanthene]-1'-ylphenyl)-6,7-dihydronaphthalen-2-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4C4(c6ccccc6O5)C5CC6CC(C5)CC4C6)cc3)ccc21.

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

The InChIKey is ACXVOZIZMPBIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H53NO/c1-52(2)27-28-53(3,4)48-34-44(25-26-46(48)52)55(42-21-17-38(18-22-42)37-11-6-5-7-12-37)43-23-19-39(20-24-43)45-13-10-16-50-51(45)54(47-14-8-9-15-49(47)56-50)40-30-35-29-36(32-40)33-41(54)31-35/h5-26,34-36,40-41H,27-33H2,1-4H3.

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

5,5,8,8-tetramethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-xanthene]-1'-ylphenyl)-6,7-dihydronaphthalen-2-amine has a molecular weight of 732.02 g/mol, XLogP of 14.69, 5 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-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-xanthene]-1'-ylphenyl)-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 176595119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).