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

C50H59N — CID 176595228

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

N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 176595228) has the molecular formula C50H59N and a molecular weight of 674.03 g/mol. Its IUPAC name is N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
• PubChem CID: 176595228
• Molecular Formula: C50H59N
• Molecular Weight: 674.03 g/mol
• Exact Mass: 673.46
• IUPAC Name: N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(N(c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)c3cccc4c3C(C)(C)CCC4(C)C)ccc21
• InChI: InChI=1S/C50H59N/c1-46(2)21-22-48(5,6)41-30-35(19-20-38(41)46)51(43-18-12-16-40-45(43)49(7,8)24-23-47(40,3)4)42-17-11-15-39-44(42)36-13-9-10-14-37(36)50(39)33-26-31-25-32(28-33)29-34(50)27-31/h9-20,30-34H,21-29H2,1-8H3
• InChIKey: BYJLGDDIEKEYHJ-UHFFFAOYSA-N
• XLogP: 13.58
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.03
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine (CID 176595228) is N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine.

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

The canonical SMILES for N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine is CC1(C)CCC(C)(C)c2cc(N(c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)c3cccc4c3C(C)(C)CCC4(C)C)ccc21.

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

The InChIKey is BYJLGDDIEKEYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H59N/c1-46(2)21-22-48(5,6)41-30-35(19-20-38(41)46)51(43-18-12-16-40-45(43)49(7,8)24-23-47(40,3)4)42-17-11-15-39-44(42)36-13-9-10-14-37(36)50(39)33-26-31-25-32(28-33)29-34(50)27-31/h9-20,30-34H,21-29H2,1-8H3.

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

N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine has a molecular weight of 674.03 g/mol, XLogP of 13.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 176595228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).