2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline

C60H36N2 — CID 145221304

About 2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline

2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline (PubChem CID 145221304) has the molecular formula C60H36N2 and a molecular weight of 784.96 g/mol. Its IUPAC name is 2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
• PubChem CID: 145221304
• Molecular Formula: C60H36N2
• Molecular Weight: 784.96 g/mol
• Exact Mass: 784.29
• IUPAC Name: 2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(-c6ccc7ccc8cccnc8c7n6)c6ccccc56)c5ccccc45)c4ccccc34)ccc2c1
• InChI: InChI=1S/C60H36N2/c1-2-15-40-36-41(30-27-37(40)14-1)55-45-19-5-9-23-49(45)57(50-24-10-6-20-46(50)55)58-51-25-11-7-21-47(51)56(48-22-8-12-26-52(48)58)53-33-32-44(42-17-3-4-18-43(42)53)54-34-31-39-29-28-38-16-13-35-61-59(38)60(39)62-54/h1-36H
• InChIKey: OHZZQDMMWOKCIL-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.96
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline?

The IUPAC name of 2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline (CID 145221304) is 2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline.

What is the SMILES notation for 2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline?

The canonical SMILES for 2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline is c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(-c6ccc7ccc8cccnc8c7n6)c6ccccc56)c5ccccc45)c4ccccc34)ccc2c1.

What is the InChIKey of 2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline?

The InChIKey is OHZZQDMMWOKCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2/c1-2-15-40-36-41(30-27-37(40)14-1)55-45-19-5-9-23-49(45)57(50-24-10-6-20-46(50)55)58-51-25-11-7-21-47(51)56(48-22-8-12-26-52(48)58)53-33-32-44(42-17-3-4-18-43(42)53)54-34-31-39-29-28-38-16-13-35-61-59(38)60(39)62-54/h1-36H.

What are the key properties of 2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline?

2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline has a molecular weight of 784.96 g/mol, XLogP of 16.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline is sourced from PubChem (CID 145221304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).