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

C57H57N — CID 176594755

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

9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine (PubChem CID 176594755) has the molecular formula C57H57N and a molecular weight of 756.09 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
• PubChem CID: 176594755
• Molecular Formula: C57H57N
• Molecular Weight: 756.09 g/mol
• Exact Mass: 755.45
• IUPAC Name: 9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
• InChI: InChI=1S/C57H57N/c1-54(2)25-26-55(3,4)53-34-43(21-24-50(53)54)58(42-20-23-46-44-11-7-9-13-48(44)56(5,6)51(46)33-42)41-18-15-37(16-19-41)38-17-22-47-45-12-8-10-14-49(45)57(52(47)32-38)39-28-35-27-36(30-39)31-40(57)29-35/h7-24,32-36,39-40H,25-31H2,1-6H3
• InChIKey: OAIIEUIFFYUYNG-UHFFFAOYSA-N
• XLogP: 15.20
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.09
LogP ≤ 5	15.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine (CID 176594755) is 9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine.

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

The canonical SMILES for 9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21.

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

The InChIKey is OAIIEUIFFYUYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H57N/c1-54(2)25-26-55(3,4)53-34-43(21-24-50(53)54)58(42-20-23-46-44-11-7-9-13-48(44)56(5,6)51(46)33-42)41-18-15-37(16-19-41)38-17-22-47-45-12-8-10-14-49(45)57(52(47)32-38)39-28-35-27-36(30-39)31-40(57)29-35/h7-24,32-36,39-40H,25-31H2,1-6H3.

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

9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine has a molecular weight of 756.09 g/mol, XLogP of 15.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 176594755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).