9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine

C63H38N2OS — CID 164794905

About 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine

9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine (PubChem CID 164794905) has the molecular formula C63H38N2OS and a molecular weight of 871.08 g/mol. Its IUPAC name is 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine.

Molecular Properties

• Compound Name: 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
• PubChem CID: 164794905
• Molecular Formula: C63H38N2OS
• Molecular Weight: 871.08 g/mol
• Exact Mass: 870.27
• IUPAC Name: 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
• SMILES: c1ccc2c(c1)Sc1ccccc1C21c2cc(N(c3ccc4c5ccccc5n(-c5cccc6oc7ccccc7c56)c4c3)c3cccc4ccccc34)ccc2-c2cccc3cccc1c23
• InChI: InChI=1S/C63H38N2OS/c1-2-19-43-39(15-1)16-13-27-53(43)64(42-34-36-46-45-20-3-7-26-54(45)65(56(46)38-42)55-28-14-30-58-62(55)48-21-4-8-29-57(48)66-58)41-33-35-44-47-22-11-17-40-18-12-25-51(61(40)47)63(52(44)37-41)49-23-5-9-31-59(49)67-60-32-10-6-24-50(60)63/h1-38H
• InChIKey: OPLGYPGHBSMICL-UHFFFAOYSA-N
• XLogP: 17.29
• TPSA: 21.31 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.08
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine?

The IUPAC name of 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine (CID 164794905) is 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine.

What is the SMILES notation for 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine?

The canonical SMILES for 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine is c1ccc2c(c1)Sc1ccccc1C21c2cc(N(c3ccc4c5ccccc5n(-c5cccc6oc7ccccc7c56)c4c3)c3cccc4ccccc34)ccc2-c2cccc3cccc1c23.

What is the InChIKey of 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine?

The InChIKey is OPLGYPGHBSMICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N2OS/c1-2-19-43-39(15-1)16-13-27-53(43)64(42-34-36-46-45-20-3-7-26-54(45)65(56(46)38-42)55-28-14-30-58-62(55)48-21-4-8-29-57(48)66-58)41-33-35-44-47-22-11-17-40-18-12-25-51(61(40)47)63(52(44)37-41)49-23-5-9-31-59(49)67-60-32-10-6-24-50(60)63/h1-38H.

What are the key properties of 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine?

9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine has a molecular weight of 871.08 g/mol, XLogP of 17.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine is sourced from PubChem (CID 164794905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).