2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C61H55N — CID 156573360

About 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 156573360) has the molecular formula C61H55N and a molecular weight of 802.12 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 156573360
• Molecular Formula: C61H55N
• Molecular Weight: 802.12 g/mol
• Exact Mass: 801.43
• IUPAC Name: 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
• SMILES: Cc1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c3cccc4c3C(C)(C)c3ccccc3-4)c2)cc1
• InChI: InChI=1S/C61H55N/c1-38-24-26-39(27-25-38)40-16-14-17-43(34-40)62(56-23-15-20-50-46-19-10-12-21-51(46)60(8,9)57(50)56)44-30-33-49-45-18-11-13-22-52(45)61(55(49)37-44)53-35-41(58(2,3)4)28-31-47(53)48-32-29-42(36-54(48)61)59(5,6)7/h10-37H,1-9H3
• InChIKey: LHRRUCGXKDNDNJ-UHFFFAOYSA-N
• XLogP: 16.38
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.12
LogP ≤ 5	16.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 156573360) is 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is Cc1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c3cccc4c3C(C)(C)c3ccccc3-4)c2)cc1.

What is the InChIKey of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is LHRRUCGXKDNDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H55N/c1-38-24-26-39(27-25-38)40-16-14-17-43(34-40)62(56-23-15-20-50-46-19-10-12-21-51(46)60(8,9)57(50)56)44-30-33-49-45-18-11-13-22-52(45)61(55(49)37-44)53-35-41(58(2,3)4)28-31-47(53)48-32-29-42(36-54(48)61)59(5,6)7/h10-37H,1-9H3.

What are the key properties of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?

2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 802.12 g/mol, XLogP of 16.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 156573360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).