N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine

C64H45N — CID 134508270

About N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine

N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 134508270) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 134508270
• Molecular Formula: C64H45N
• Molecular Weight: 828.07 g/mol
• Exact Mass: 827.36
• IUPAC Name: N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21
• InChI: InChI=1S/C64H45N/c1-63(2)57-26-10-6-25-54(57)56-40-49(35-37-58(56)63)65(48-21-15-20-47(39-48)46-19-14-18-45(38-46)44-32-30-43(31-33-44)42-16-4-3-5-17-42)50-34-36-55-53-24-9-13-29-61(53)64(62(55)41-50)59-27-11-7-22-51(59)52-23-8-12-28-60(52)64/h3-41H,1-2H3
• InChIKey: RSKVYXWVDTVTIS-UHFFFAOYSA-N
• XLogP: 16.81
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.07
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 134508270) is N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is RSKVYXWVDTVTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-63(2)57-26-10-6-25-54(57)56-40-49(35-37-58(56)63)65(48-21-15-20-47(39-48)46-19-14-18-45(38-46)44-32-30-43(31-33-44)42-16-4-3-5-17-42)50-34-36-55-53-24-9-13-29-61(53)64(62(55)41-50)59-27-11-7-22-51(59)52-23-8-12-28-60(52)64/h3-41H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?

N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 828.07 g/mol, XLogP of 16.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 134508270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).