9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene

C60H40 — CID 58965810

About 9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene

9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene (PubChem CID 58965810) has the molecular formula C60H40 and a molecular weight of 760.98 g/mol. Its IUPAC name is 9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene.

Molecular Properties

• Compound Name: 9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
• PubChem CID: 58965810
• Molecular Formula: C60H40
• Molecular Weight: 760.98 g/mol
• Exact Mass: 760.31
• IUPAC Name: 9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
• SMILES: c1ccc(-c2cccc(-c3cccc(-c4ccccc4-c4c5ccccc5c(-c5ccc6cc(-c7cccc(-c8ccccc8)c7)ccc6c5)c5ccccc45)c3)c2)cc1
• InChI: InChI=1S/C60H40/c1-3-16-41(17-4-1)43-20-13-22-45(36-43)47-24-15-25-51(39-47)53-26-7-8-27-54(53)60-57-30-11-9-28-55(57)59(56-29-10-12-31-58(56)60)52-35-34-49-38-48(32-33-50(49)40-52)46-23-14-21-44(37-46)42-18-5-2-6-19-42/h1-40H
• InChIKey: YVQGHJVQDZLXTG-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.98
LogP ≤ 5	16.82
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-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene?

The IUPAC name of 9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene (CID 58965810) is 9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene.

What is the SMILES notation for 9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene?

The canonical SMILES for 9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene is c1ccc(-c2cccc(-c3cccc(-c4ccccc4-c4c5ccccc5c(-c5ccc6cc(-c7cccc(-c8ccccc8)c7)ccc6c5)c5ccccc45)c3)c2)cc1.

What is the InChIKey of 9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene?

The InChIKey is YVQGHJVQDZLXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40/c1-3-16-41(17-4-1)43-20-13-22-45(36-43)47-24-15-25-51(39-47)53-26-7-8-27-54(53)60-57-30-11-9-28-55(57)59(56-29-10-12-31-58(56)60)52-35-34-49-38-48(32-33-50(49)40-52)46-23-14-21-44(37-46)42-18-5-2-6-19-42/h1-40H.

What are the key properties of 9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene?

9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene has a molecular weight of 760.98 g/mol, XLogP of 16.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene is sourced from PubChem (CID 58965810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).