8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine

C62H59NO — CID 174313565

About 8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine

8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine (PubChem CID 174313565) has the molecular formula C62H59NO and a molecular weight of 834.16 g/mol. Its IUPAC name is 8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine.

Molecular Properties

• Compound Name: 8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine
• PubChem CID: 174313565
• Molecular Formula: C62H59NO
• Molecular Weight: 834.16 g/mol
• Exact Mass: 833.46
• IUPAC Name: 8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine
• SMILES: CC(C)c1cc(-c2ccc(C(C)(C)C)cc2)cc2c1oc1c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cccc12
• InChI: InChI=1S/C62H59NO/c1-36(2)51-32-40(39-19-21-41(22-20-39)60(3,4)5)33-52-50-15-12-18-57(59(50)64-58(51)52)63(44-23-25-48-46-13-8-10-16-53(46)61(6,7)55(48)34-44)45-24-26-49-47-14-9-11-17-54(47)62(56(49)35-45)42-28-37-27-38(30-42)31-43(62)29-37/h8-26,32-38,42-43H,27-31H2,1-7H3
• InChIKey: UZIOVQIJCAHORD-UHFFFAOYSA-N
• XLogP: 17.17
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.16
LogP ≤ 5	17.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine?

The IUPAC name of 8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine (CID 174313565) is 8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine.

What is the SMILES notation for 8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine?

The canonical SMILES for 8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine is CC(C)c1cc(-c2ccc(C(C)(C)C)cc2)cc2c1oc1c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cccc12.

What is the InChIKey of 8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine?

The InChIKey is UZIOVQIJCAHORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H59NO/c1-36(2)51-32-40(39-19-21-41(22-20-39)60(3,4)5)33-52-50-15-12-18-57(59(50)64-58(51)52)63(44-23-25-48-46-13-8-10-16-53(46)61(6,7)55(48)34-44)45-24-26-49-47-14-9-11-17-54(47)62(56(49)35-45)42-28-37-27-38(30-42)31-43(62)29-37/h8-26,32-38,42-43H,27-31H2,1-7H3.

What are the key properties of 8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine?

8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine has a molecular weight of 834.16 g/mol, XLogP of 17.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine is sourced from PubChem (CID 174313565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).