N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine

C60H57N — CID 176595371

About N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine

N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine (PubChem CID 176595371) has the molecular formula C60H57N and a molecular weight of 792.12 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine.

Molecular Properties

• Compound Name: N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
• PubChem CID: 176595371
• Molecular Formula: C60H57N
• Molecular Weight: 792.12 g/mol
• Exact Mass: 791.45
• IUPAC Name: N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine
• SMILES: CC1(C)CCC(C)(C)c2c(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cccc21
• InChI: InChI=1S/C60H57N/c1-58(2)28-29-59(3,4)57-54(58)20-13-21-56(57)61(50-36-45(41-14-7-5-8-15-41)35-46(37-50)42-16-9-6-10-17-42)49-25-22-43(23-26-49)44-24-27-52-51-18-11-12-19-53(51)60(55(52)38-44)47-31-39-30-40(33-47)34-48(60)32-39/h5-27,35-40,47-48H,28-34H2,1-4H3
• InChIKey: WAMQOGFGNYFNQN-UHFFFAOYSA-N
• XLogP: 16.23
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.12
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine?

The IUPAC name of N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine (CID 176595371) is N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine.

What is the SMILES notation for N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine?

The canonical SMILES for N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine is CC1(C)CCC(C)(C)c2c(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cccc21.

What is the InChIKey of N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine?

The InChIKey is WAMQOGFGNYFNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H57N/c1-58(2)28-29-59(3,4)57-54(58)20-13-21-56(57)61(50-36-45(41-14-7-5-8-15-41)35-46(37-50)42-16-9-6-10-17-42)49-25-22-43(23-26-49)44-24-27-52-51-18-11-12-19-53(51)60(55(52)38-44)47-31-39-30-40(33-47)34-48(60)32-39/h5-27,35-40,47-48H,28-34H2,1-4H3.

What are the key properties of N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine?

N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine has a molecular weight of 792.12 g/mol, XLogP of 16.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6,7-dihydronaphthalen-1-amine is sourced from PubChem (CID 176595371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).