9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene

C58H38 — CID 144837172

About 9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene

9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene (PubChem CID 144837172) has the molecular formula C58H38 and a molecular weight of 734.94 g/mol. Its IUPAC name is 9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene.

Molecular Properties

• Compound Name: 9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene
• PubChem CID: 144837172
• Molecular Formula: C58H38
• Molecular Weight: 734.94 g/mol
• Exact Mass: 734.30
• IUPAC Name: 9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene
• SMILES: c1ccc(-c2ccc(-c3cccc(-c4c(-c5ccc6ccccc6c5)ccc5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc45)c3)cc2)cc1
• InChI: InChI=1S/C58H38/c1-3-14-39(15-4-1)41-26-28-42(29-27-41)46-20-13-21-48(37-46)57-50(47-32-30-40-16-7-8-19-45(40)36-47)35-34-43-31-33-49(38-55(43)57)58-53-24-11-9-22-51(53)56(44-17-5-2-6-18-44)52-23-10-12-25-54(52)58/h1-38H
• InChIKey: UOKRYVXMZDHMGH-UHFFFAOYSA-N
• XLogP: 16.30
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.94
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene?

The IUPAC name of 9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene (CID 144837172) is 9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene.

What is the SMILES notation for 9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene?

The canonical SMILES for 9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene is c1ccc(-c2ccc(-c3cccc(-c4c(-c5ccc6ccccc6c5)ccc5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc45)c3)cc2)cc1.

What is the InChIKey of 9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene?

The InChIKey is UOKRYVXMZDHMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38/c1-3-14-39(15-4-1)41-26-28-42(29-27-41)46-20-13-21-48(37-46)57-50(47-32-30-40-16-7-8-19-45(40)36-47)35-34-43-31-33-49(38-55(43)57)58-53-24-11-9-22-51(53)56(44-17-5-2-6-18-44)52-23-10-12-25-54(52)58/h1-38H.

What are the key properties of 9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene?

9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene has a molecular weight of 734.94 g/mol, XLogP of 16.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene is sourced from PubChem (CID 144837172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).