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

C48H49NO — CID 176595004

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

5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine (PubChem CID 176595004) has the molecular formula C48H49NO and a molecular weight of 655.93 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine.

Molecular Properties

• Compound Name: 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
• PubChem CID: 176595004
• Molecular Formula: C48H49NO
• Molecular Weight: 655.93 g/mol
• Exact Mass: 655.38
• IUPAC Name: 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
• SMILES: CC1(C)CCC(C)(C)c2c(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)C5CC6CC(C5)CC4C6)cc3)cccc21
• InChI: InChI=1S/C48H49NO/c1-46(2)23-24-47(3,4)45-40(46)14-10-15-42(45)49(37-11-6-5-7-12-37)38-20-17-33(18-21-38)34-19-22-44-41(30-34)48(39-13-8-9-16-43(39)50-44)35-26-31-25-32(28-35)29-36(48)27-31/h5-22,30-32,35-36H,23-29H2,1-4H3
• InChIKey: QCTZVPFNINXYJJ-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.93
LogP ≤ 5	13.02
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-phenyl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine?

The IUPAC name of 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine (CID 176595004) is 5,5,8,8-tetramethyl-N-phenyl-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-phenyl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine?

The canonical SMILES for 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine is CC1(C)CCC(C)(C)c2c(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)C5CC6CC(C5)CC4C6)cc3)cccc21.

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

The InChIKey is QCTZVPFNINXYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H49NO/c1-46(2)23-24-47(3,4)45-40(46)14-10-15-42(45)49(37-11-6-5-7-12-37)38-20-17-33(18-21-38)34-19-22-44-41(30-34)48(39-13-8-9-16-43(39)50-44)35-26-31-25-32(28-35)29-36(48)27-31/h5-22,30-32,35-36H,23-29H2,1-4H3.

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

5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine has a molecular weight of 655.93 g/mol, XLogP of 13.02, 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-phenyl-N-(4-spiro[adamantane-2,9'-xanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine is sourced from PubChem (CID 176595004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).