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

C48H49N — CID 176595774

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

N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine (PubChem CID 176595774) has the molecular formula C48H49N and a molecular weight of 639.93 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine.

Molecular Properties

• Compound Name: N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine
• PubChem CID: 176595774
• Molecular Formula: C48H49N
• Molecular Weight: 639.93 g/mol
• Exact Mass: 639.39
• IUPAC Name: N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine
• SMILES: CC1(C)CCC(C)(C)c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cccc21
• InChI: InChI=1S/C48H49N/c1-46(2)24-25-47(3,4)45-41(46)17-11-19-43(45)49(37-22-20-34(21-23-37)33-12-6-5-7-13-33)42-18-10-15-39-38-14-8-9-16-40(38)48(44(39)42)35-27-31-26-32(29-35)30-36(48)28-31/h5-23,31-32,35-36H,24-30H2,1-4H3
• InChIKey: YFEYQVFMONNNIO-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 N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine?

The IUPAC name of N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine (CID 176595774) is N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine.

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

The canonical SMILES for N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine is CC1(C)CCC(C)(C)c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cccc21.

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

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

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

N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-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 N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-1'-amine is sourced from PubChem (CID 176595774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).