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

C57H57N — CID 176595342

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-4-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-4-amine (PubChem CID 176595342) 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-4-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-4-amine
• PubChem CID: 176595342
• 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-4-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)cc3)c3cccc4c3-c3ccccc3C4(C)C)ccc21
• InChI: InChI=1S/C57H57N/c1-54(2)26-27-55(3,4)51-34-42(23-25-48(51)54)58(52-17-11-16-49-53(52)45-13-8-9-14-46(45)56(49,5)6)41-21-18-37(19-22-41)38-20-24-44-43-12-7-10-15-47(43)57(50(44)33-38)39-29-35-28-36(31-39)32-40(57)30-35/h7-25,33-36,39-40H,26-32H2,1-6H3
• InChIKey: AALFZBKVAARBDC-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-4-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-4-amine (CID 176595342) 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-4-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-4-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-4-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)cc3)c3cccc4c3-c3ccccc3C4(C)C)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-4-amine?

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

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-4-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-4-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-4-amine is sourced from PubChem (CID 176595342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).