N-[4-(4-tert-butylphenyl)-2-(2-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine

C63H51N — CID 155221097

About N-[4-(4-tert-butylphenyl)-2-(2-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine

N-[4-(4-tert-butylphenyl)-2-(2-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 155221097) has the molecular formula C63H51N and a molecular weight of 822.11 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-2-(2-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-[4-(4-tert-butylphenyl)-2-(2-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 155221097
• Molecular Formula: C63H51N
• Molecular Weight: 822.11 g/mol
• Exact Mass: 821.40
• IUPAC Name: N-[4-(4-tert-butylphenyl)-2-(2-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
• SMILES: Cc1ccccc1-c1cc(-c2ccc(C(C)(C)C)cc2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
• InChI: InChI=1S/C63H51N/c1-40-17-7-8-18-46(40)53-37-42(41-27-30-43(31-28-41)61(2,3)4)29-36-60(53)64(44-32-34-51-47-19-9-13-23-54(47)62(5,6)58(51)38-44)45-33-35-52-50-22-12-16-26-57(50)63(59(52)39-45)55-24-14-10-20-48(55)49-21-11-15-25-56(49)63/h7-39H,1-6H3
• InChIKey: WAJASJNOFLLYNN-UHFFFAOYSA-N
• XLogP: 16.75
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.11
LogP ≤ 5	16.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-2-(2-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-[4-(4-tert-butylphenyl)-2-(2-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine (CID 155221097) is N-[4-(4-tert-butylphenyl)-2-(2-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-[4-(4-tert-butylphenyl)-2-(2-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-[4-(4-tert-butylphenyl)-2-(2-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine is Cc1ccccc1-c1cc(-c2ccc(C(C)(C)C)cc2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.

What is the InChIKey of N-[4-(4-tert-butylphenyl)-2-(2-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is WAJASJNOFLLYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51N/c1-40-17-7-8-18-46(40)53-37-42(41-27-30-43(31-28-41)61(2,3)4)29-36-60(53)64(44-32-34-51-47-19-9-13-23-54(47)62(5,6)58(51)38-44)45-33-35-52-50-22-12-16-26-57(50)63(59(52)39-45)55-24-14-10-20-48(55)49-21-11-15-25-56(49)63/h7-39H,1-6H3.

What are the key properties of N-[4-(4-tert-butylphenyl)-2-(2-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?

N-[4-(4-tert-butylphenyl)-2-(2-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 822.11 g/mol, XLogP of 16.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-tert-butylphenyl)-2-(2-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 155221097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).