N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine

C64H51N — CID 170218290

About N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine (PubChem CID 170218290) has the molecular formula C64H51N and a molecular weight of 834.12 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
• PubChem CID: 170218290
• Molecular Formula: C64H51N
• Molecular Weight: 834.12 g/mol
• Exact Mass: 833.40
• IUPAC Name: N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
• SMILES: CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)c21
• InChI: InChI=1S/C64H51N/c1-63(2)58-24-11-8-20-53(58)56-22-14-23-57(62(56)63)55-21-10-13-26-61(55)65(49-37-38-54-52-19-9-12-25-59(52)64(60(54)40-49)41-42-27-34-47(64)39-42)48-35-32-46(33-36-48)51-18-7-6-17-50(51)45-30-28-44(29-31-45)43-15-4-3-5-16-43/h3-26,28-33,35-38,40,42,47H,27,34,39,41H2,1-2H3
• InChIKey: ABHKIDJEAWUGQQ-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.12
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?

The IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine (CID 170218290) is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine.

What is the SMILES notation for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?

The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)c21.

What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?

The InChIKey is ABHKIDJEAWUGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H51N/c1-63(2)58-24-11-8-20-53(58)56-22-14-23-57(62(56)63)55-21-10-13-26-61(55)65(49-37-38-54-52-19-9-12-25-59(52)64(60(54)40-49)41-42-27-34-47(64)39-42)48-35-32-46(33-36-48)51-18-7-6-17-50(51)45-30-28-44(29-31-45)43-15-4-3-5-16-43/h3-26,28-33,35-38,40,42,47H,27,34,39,41H2,1-2H3.

What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine has a molecular weight of 834.12 g/mol, XLogP of 17.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 170218290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).