7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine

C72H57N — CID 169028750

About 7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine

7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 169028750) has the molecular formula C72H57N and a molecular weight of 936.25 g/mol. Its IUPAC name is 7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: 7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 169028750
• Molecular Formula: C72H57N
• Molecular Weight: 936.25 g/mol
• Exact Mass: 935.45
• IUPAC Name: 7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4cccc5cccc(-c6ccccc6)c45)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(C56CC7CC(CC(C7)C5)C6)ccc3-4)ccc21
• InChI: InChI=1S/C72H57N/c1-70(2)63-26-9-6-23-59(63)62-40-53(31-34-64(62)70)73(52-20-12-19-50(38-52)56-25-14-18-49-17-13-24-55(69(49)56)48-15-4-3-5-16-48)54-30-33-61-60-32-29-51(71-42-45-35-46(43-71)37-47(36-45)44-71)39-67(60)72(68(61)41-54)65-27-10-7-21-57(65)58-22-8-11-28-66(58)72/h3-34,38-41,45-47H,35-37,42-44H2,1-2H3
• InChIKey: IGVBPCXBBMDERP-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.25
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of 7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine (CID 169028750) is 7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for 7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for 7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4cccc5cccc(-c6ccccc6)c45)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(C56CC7CC(CC(C7)C5)C6)ccc3-4)ccc21.

What is the InChIKey of 7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is IGVBPCXBBMDERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H57N/c1-70(2)63-26-9-6-23-59(63)62-40-53(31-34-64(62)70)73(52-20-12-19-50(38-52)56-25-14-18-49-17-13-24-55(69(49)56)48-15-4-3-5-16-48)54-30-33-61-60-32-29-51(71-42-45-35-46(43-71)37-47(36-45)44-71)39-67(60)72(68(61)41-54)65-27-10-7-21-57(65)58-22-8-11-28-66(58)72/h3-34,38-41,45-47H,35-37,42-44H2,1-2H3.

What are the key properties of 7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?

7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 936.25 g/mol, XLogP of 18.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 169028750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).