2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene

C58H36 — CID 58322853

About 2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene

2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene (PubChem CID 58322853) has the molecular formula C58H36 and a molecular weight of 732.93 g/mol. Its IUPAC name is 2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
• PubChem CID: 58322853
• Molecular Formula: C58H36
• Molecular Weight: 732.93 g/mol
• Exact Mass: 732.28
• IUPAC Name: 2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
• SMILES: c1cc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3cc(-c4ccc5ccccc5c4)ccc23)cc(-c2cc3ccccc3c3ccccc23)c1
• InChI: InChI=1S/C58H36/c1-2-15-38-32-39(29-28-37(38)14-1)40-30-31-53-56(34-40)58(55-36-43-17-4-6-21-46(43)48-23-8-10-25-50(48)55)52-27-12-11-26-51(52)57(53)44-19-13-18-41(33-44)54-35-42-16-3-5-20-45(42)47-22-7-9-24-49(47)54/h1-36H
• InChIKey: BWAGUCUDWAXJIG-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.93
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene?

The IUPAC name of 2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene (CID 58322853) is 2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene.

What is the SMILES notation for 2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene?

The canonical SMILES for 2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene is c1cc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3cc(-c4ccc5ccccc5c4)ccc23)cc(-c2cc3ccccc3c3ccccc23)c1.

What is the InChIKey of 2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene?

The InChIKey is BWAGUCUDWAXJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36/c1-2-15-38-32-39(29-28-37(38)14-1)40-30-31-53-56(34-40)58(55-36-43-17-4-6-21-46(43)48-23-8-10-25-50(48)55)52-27-12-11-26-51(52)57(53)44-19-13-18-41(33-44)54-35-42-16-3-5-20-45(42)47-22-7-9-24-49(47)54/h1-36H.

What are the key properties of 2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene?

2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene has a molecular weight of 732.93 g/mol, XLogP of 16.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene is sourced from PubChem (CID 58322853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).