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

C48H49N — CID 176596011

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

5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-6,7-dihydronaphthalen-1-amine (PubChem CID 176596011) has the molecular formula C48H49N and a molecular weight of 639.93 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-6,7-dihydronaphthalen-1-amine.

Molecular Properties

• Compound Name: 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-6,7-dihydronaphthalen-1-amine
• PubChem CID: 176596011
• Molecular Formula: C48H49N
• Molecular Weight: 639.93 g/mol
• Exact Mass: 639.39
• IUPAC Name: 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-6,7-dihydronaphthalen-1-amine
• SMILES: CC1(C)CCC(C)(C)c2c(N(c3ccccc3)c3ccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cccc21
• InChI: InChI=1S/C48H49N/c1-46(2)24-25-47(3,4)45-42(46)18-11-19-43(45)49(36-12-6-5-7-13-36)37-22-20-33(21-23-37)38-15-10-17-41-44(38)39-14-8-9-16-40(39)48(41)34-27-31-26-32(29-34)30-35(48)28-31/h5-23,31-32,34-35H,24-30H2,1-4H3
• InChIKey: MZENJODUPHVRKT-UHFFFAOYSA-N
• XLogP: 12.90
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.93
LogP ≤ 5	12.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-6,7-dihydronaphthalen-1-amine (CID 176596011) is 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-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'-fluorene]-4'-ylphenyl)-6,7-dihydronaphthalen-1-amine?

The canonical SMILES for 5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-6,7-dihydronaphthalen-1-amine is CC1(C)CCC(C)(C)c2c(N(c3ccccc3)c3ccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cccc21.

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

The InChIKey is MZENJODUPHVRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H49N/c1-46(2)24-25-47(3,4)45-42(46)18-11-19-43(45)49(36-12-6-5-7-13-36)37-22-20-33(21-23-37)38-15-10-17-41-44(38)39-14-8-9-16-40(39)48(41)34-27-31-26-32(29-34)30-35(48)28-31/h5-23,31-32,34-35H,24-30H2,1-4H3.

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

5,5,8,8-tetramethyl-N-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-6,7-dihydronaphthalen-1-amine has a molecular weight of 639.93 g/mol, XLogP of 12.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 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'-fluorene]-4'-ylphenyl)-6,7-dihydronaphthalen-1-amine is sourced from PubChem (CID 176596011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).