N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

C75H45NS2 — CID 138477289

About N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (PubChem CID 138477289) has the molecular formula C75H45NS2 and a molecular weight of 1024.33 g/mol. Its IUPAC name is N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.

Molecular Properties

• Compound Name: N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
• PubChem CID: 138477289
• Molecular Formula: C75H45NS2
• Molecular Weight: 1024.33 g/mol
• Exact Mass: 1023.30
• IUPAC Name: N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
• SMILES: c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21
• InChI: InChI=1S/C75H45NS2/c1-6-25-55-48(20-1)49-21-2-7-26-56(49)73(55)57-27-8-3-22-50(57)52-42-40-46(44-65(52)73)76(47-41-43-53-51-23-4-9-28-58(51)75(66(53)45-47)62-32-13-17-38-70(62)78-71-39-18-14-33-63(71)75)67-35-19-34-64-72(67)54-24-5-10-29-59(54)74(64)60-30-11-15-36-68(60)77-69-37-16-12-31-61(69)74/h1-45H
• InChIKey: JFTYSKRJGXFAJQ-UHFFFAOYSA-N
• XLogP: 19.16
• TPSA: 3.24 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1024.33
LogP ≤ 5	19.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?

The IUPAC name of N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (CID 138477289) is N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.

What is the SMILES notation for N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?

The canonical SMILES for N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21.

What is the InChIKey of N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?

The InChIKey is JFTYSKRJGXFAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H45NS2/c1-6-25-55-48(20-1)49-21-2-7-26-56(49)73(55)57-27-8-3-22-50(57)52-42-40-46(44-65(52)73)76(47-41-43-53-51-23-4-9-28-58(51)75(66(53)45-47)62-32-13-17-38-70(62)78-71-39-18-14-33-63(71)75)67-35-19-34-64-72(67)54-24-5-10-29-59(54)74(64)60-30-11-15-36-68(60)77-69-37-16-12-31-61(69)74/h1-45H.

What are the key properties of N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?

N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine has a molecular weight of 1024.33 g/mol, XLogP of 19.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is sourced from PubChem (CID 138477289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).