2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine

C68H53NO — CID 174282092

About 2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine

2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 174282092) has the molecular formula C68H53NO and a molecular weight of 900.18 g/mol. Its IUPAC name is 2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

• Compound Name: 2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
• PubChem CID: 174282092
• Molecular Formula: C68H53NO
• Molecular Weight: 900.18 g/mol
• Exact Mass: 899.41
• IUPAC Name: 2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
• SMILES: CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4cccc5ccccc45)cc31)c1cc(C(C)(C)C)ccc1-2
• InChI: InChI=1S/C68H53NO/c1-65(2,3)43-30-34-51-52-35-31-44(66(4,5)6)39-59(52)68(58(51)38-43)57-27-15-16-29-63(57)70-64-37-33-46(41-61(64)68)69(62-28-17-19-42-18-7-8-20-47(42)62)45-32-36-53-50-23-11-14-26-56(50)67(60(53)40-45)54-24-12-9-21-48(54)49-22-10-13-25-55(49)67/h7-41H,1-6H3
• InChIKey: AGIRRIRFMAFLKE-UHFFFAOYSA-N
• XLogP: 17.72
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.18
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine?

The IUPAC name of 2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine (CID 174282092) is 2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine.

What is the SMILES notation for 2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine?

The canonical SMILES for 2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4cccc5ccccc45)cc31)c1cc(C(C)(C)C)ccc1-2.

What is the InChIKey of 2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine?

The InChIKey is AGIRRIRFMAFLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H53NO/c1-65(2,3)43-30-34-51-52-35-31-44(66(4,5)6)39-59(52)68(58(51)38-43)57-27-15-16-29-63(57)70-64-37-33-46(41-61(64)68)69(62-28-17-19-42-18-7-8-20-47(42)62)45-32-36-53-50-23-11-14-26-56(50)67(60(53)40-45)54-24-12-9-21-48(54)49-22-10-13-25-55(49)67/h7-41H,1-6H3.

What are the key properties of 2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine?

2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 900.18 g/mol, XLogP of 17.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 174282092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).