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

C52H51NO — CID 176596088

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

5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine (PubChem CID 176596088) 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-2-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-2-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
• PubChem CID: 176596088
• Molecular Formula: C52H51NO
• Molecular Weight: 705.99 g/mol
• Exact Mass: 705.40
• IUPAC Name: 5,5,8,8-tetramethyl-N-naphthalen-2-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)c3ccc4ccccc4c3)cccc21
• InChI: InChI=1S/C52H51NO/c1-50(2)24-25-51(3,4)49-44(50)13-9-14-46(49)53(42-22-18-35-10-5-6-11-37(35)31-42)41-20-16-36(17-21-41)38-19-23-48-45(32-38)52(43-12-7-8-15-47(43)54-48)39-27-33-26-34(29-39)30-40(52)28-33/h5-23,31-34,39-40H,24-30H2,1-4H3
• InChIKey: KWZJDBRIIUOEPS-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-2-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-2-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine (CID 176596088) is 5,5,8,8-tetramethyl-N-naphthalen-2-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-2-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-2-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)c3ccc4ccccc4c3)cccc21.

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

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

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

5,5,8,8-tetramethyl-N-naphthalen-2-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-2-yl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine is sourced from PubChem (CID 176596088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).