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

C58H61N — CID 176595459

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

7'-(4-tert-butylphenyl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 176595459) has the molecular formula C58H61N and a molecular weight of 772.13 g/mol. Its IUPAC name is 7'-(4-tert-butylphenyl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: 7'-(4-tert-butylphenyl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
• PubChem CID: 176595459
• Molecular Formula: C58H61N
• Molecular Weight: 772.13 g/mol
• Exact Mass: 771.48
• IUPAC Name: 7'-(4-tert-butylphenyl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
• SMILES: CC(C)(C)c1ccc(-c2ccc3c(c2)C2(c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)CCC6(C)C)ccc4-3)C3CC4CC(C3)CC2C4)cc1
• InChI: InChI=1S/C58H61N/c1-55(2,3)43-18-13-41(14-19-43)42-17-24-49-50-25-22-47(35-53(50)58(52(49)34-42)44-30-37-29-38(32-44)33-45(58)31-37)59(46-20-15-40(16-21-46)39-11-9-8-10-12-39)48-23-26-51-54(36-48)57(6,7)28-27-56(51,4)5/h8-26,34-38,44-45H,27-33H2,1-7H3
• InChIKey: UISIDEIWYOLACW-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.13
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 7'-(4-tert-butylphenyl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine (CID 176595459) is 7'-(4-tert-butylphenyl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine.

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

The canonical SMILES for 7'-(4-tert-butylphenyl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is CC(C)(C)c1ccc(-c2ccc3c(c2)C2(c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)CCC6(C)C)ccc4-3)C3CC4CC(C3)CC2C4)cc1.

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

The InChIKey is UISIDEIWYOLACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H61N/c1-55(2,3)43-18-13-41(14-19-43)42-17-24-49-50-25-22-47(35-53(50)58(52(49)34-42)44-30-37-29-38(32-44)33-45(58)31-37)59(46-20-15-40(16-21-46)39-11-9-8-10-12-39)48-23-26-51-54(36-48)57(6,7)28-27-56(51,4)5/h8-26,34-38,44-45H,27-33H2,1-7H3.

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

7'-(4-tert-butylphenyl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 772.13 g/mol, XLogP of 15.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7'-(4-tert-butylphenyl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 176595459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).