3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine

C73H65N — CID 170215931

About 3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine

3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 170215931) has the molecular formula C73H65N and a molecular weight of 956.33 g/mol. Its IUPAC name is 3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

• Compound Name: 3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine
• PubChem CID: 170215931
• Molecular Formula: C73H65N
• Molecular Weight: 956.33 g/mol
• Exact Mass: 955.51
• IUPAC Name: 3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine
• SMILES: CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2ccccc2-c2c(N(c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)cccc21
• InChI: InChI=1S/C73H65N/c1-69(2,3)46-31-37-62-57(40-46)58-41-47(70(4,5)6)32-38-63(58)73(62)61-24-14-11-19-56(61)67-64(73)25-16-26-66(67)74(50-35-36-54-52-17-10-13-23-60(52)72(65(54)42-50)43-44-27-30-48(72)39-44)49-33-28-45(29-34-49)51-20-15-21-55-53-18-9-12-22-59(53)71(7,8)68(51)55/h9-26,28-29,31-38,40-42,44,48H,27,30,39,43H2,1-8H3
• InChIKey: DCUBOLPFIPSBJY-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.33
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine?

The IUPAC name of 3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine (CID 170215931) is 3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine.

What is the SMILES notation for 3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine?

The canonical SMILES for 3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C21c2ccccc2-c2c(N(c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)cccc21.

What is the InChIKey of 3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine?

The InChIKey is DCUBOLPFIPSBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H65N/c1-69(2,3)46-31-37-62-57(40-46)58-41-47(70(4,5)6)32-38-63(58)73(62)61-24-14-11-19-56(61)67-64(73)25-16-26-66(67)74(50-35-36-54-52-17-10-13-23-60(52)72(65(54)42-50)43-44-27-30-48(72)39-44)49-33-28-45(29-34-49)51-20-15-21-55-53-18-9-12-22-59(53)71(7,8)68(51)55/h9-26,28-29,31-38,40-42,44,48H,27,30,39,43H2,1-8H3.

What are the key properties of 3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine?

3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 956.33 g/mol, XLogP of 19.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 170215931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).