9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine

C₅₀H₃₅NS — CID 143300939

About 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine

9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine (PubChem CID 143300939) has the molecular formula C₅₀H₃₅NS and a molecular weight of 681.90 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine.

Molecular Properties

• Compound Name: 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine
• PubChem CID: 143300939
• Molecular Formula: C₅₀H₃₅NS
• Molecular Weight: 681.90 g/mol
• Exact Mass: 681.25
• IUPAC Name: 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine
• SMILES: NS.c1cc(-c2ccc(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
• InChI: InChI=1S/C50H32.H3NS/c1-3-14-35-30-38(26-24-33(35)12-1)42-29-28-41(43-18-5-6-19-44(42)43)37-16-11-17-39(32-37)49-45-20-7-9-22-47(45)50(48-23-10-8-21-46(48)49)40-27-25-34-13-2-4-15-36(34)31-40;1-2/h1-32H;2H,1H2
• InChIKey: CACZKHCRGBEZKP-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 26.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	681.90
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine?

The IUPAC name of 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine (CID 143300939) is 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine.

What is the SMILES notation for 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine?

The canonical SMILES for 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine is NS.c1cc(-c2ccc(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.

What is the InChIKey of 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine?

The InChIKey is CACZKHCRGBEZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32.H3NS/c1-3-14-35-30-38(26-24-33(35)12-1)42-29-28-41(43-18-5-6-19-44(42)43)37-16-11-17-39(32-37)49-45-20-7-9-22-47(45)50(48-23-10-8-21-46(48)49)40-27-25-34-13-2-4-15-36(34)31-40;1-2/h1-32H;2H,1H2.

What are the key properties of 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine?

9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine has a molecular weight of 681.90 g/mol, XLogP of 13.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine is sourced from PubChem (CID 143300939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143300939 — identifiers, structure, computed properties (public domain)

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