N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine

C60H37NOS — CID 138476176

About N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine

N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine (PubChem CID 138476176) has the molecular formula C60H37NOS and a molecular weight of 820.03 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
• PubChem CID: 138476176
• Molecular Formula: C60H37NOS
• Molecular Weight: 820.03 g/mol
• Exact Mass: 819.26
• IUPAC Name: N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
• SMILES: c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c3cccc4ccccc34)ccc21
• InChI: InChI=1S/C60H37NOS/c1-2-18-41-38(16-1)17-15-27-54(41)61(39-32-34-48-44(36-39)42-19-3-5-21-46(42)59(48)50-23-7-11-28-55(50)62-56-29-12-8-24-51(56)59)40-33-35-49-45(37-40)43-20-4-6-22-47(43)60(49)52-25-9-13-30-57(52)63-58-31-14-10-26-53(58)60/h1-37H
• InChIKey: XMYADAIXKFJWII-UHFFFAOYSA-N
• XLogP: 15.61
• TPSA: 12.47 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.03
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?

The IUPAC name of N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine (CID 138476176) is N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine.

What is the SMILES notation for N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?

The canonical SMILES for N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c3cccc4ccccc34)ccc21.

What is the InChIKey of N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?

The InChIKey is XMYADAIXKFJWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NOS/c1-2-18-41-38(16-1)17-15-27-54(41)61(39-32-34-48-44(36-39)42-19-3-5-21-46(42)59(48)50-23-7-11-28-55(50)62-56-29-12-8-24-51(56)59)40-33-35-49-45(37-40)43-20-4-6-22-47(43)60(49)52-25-9-13-30-57(52)63-58-31-14-10-26-53(58)60/h1-37H.

What are the key properties of N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?

N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine has a molecular weight of 820.03 g/mol, XLogP of 15.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine is sourced from PubChem (CID 138476176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).