9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene

C62H40 — CID 153438356

About 9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene

9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene (PubChem CID 153438356) has the molecular formula C62H40 and a molecular weight of 785.00 g/mol. Its IUPAC name is 9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene.

Molecular Properties

• Compound Name: 9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
• PubChem CID: 153438356
• Molecular Formula: C62H40
• Molecular Weight: 785.00 g/mol
• Exact Mass: 784.31
• IUPAC Name: 9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
• SMILES: c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4ccc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)cc4c3)c3ccccc23)cc1
• InChI: InChI=1S/C62H40/c1-3-19-42(20-4-1)47-23-7-9-25-49(47)61-55-31-15-11-27-51(55)59(52-28-12-16-32-56(52)61)44-37-35-41-36-38-45(40-46(41)39-44)60-53-29-13-17-33-57(53)62(58-34-18-14-30-54(58)60)50-26-10-8-24-48(50)43-21-5-2-6-22-43/h1-40H
• InChIKey: GEOCBJNVEJNUGY-UHFFFAOYSA-N
• XLogP: 17.45
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.00
LogP ≤ 5	17.45
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-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene?

The IUPAC name of 9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene (CID 153438356) is 9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene.

What is the SMILES notation for 9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene?

The canonical SMILES for 9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4ccc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)cc4c3)c3ccccc23)cc1.

What is the InChIKey of 9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene?

The InChIKey is GEOCBJNVEJNUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40/c1-3-19-42(20-4-1)47-23-7-9-25-49(47)61-55-31-15-11-27-51(55)59(52-28-12-16-32-56(52)61)44-37-35-41-36-38-45(40-46(41)39-44)60-53-29-13-17-33-57(53)62(58-34-18-14-30-54(58)60)50-26-10-8-24-48(50)43-21-5-2-6-22-43/h1-40H.

What are the key properties of 9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene?

9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene has a molecular weight of 785.00 g/mol, XLogP of 17.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene is sourced from PubChem (CID 153438356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).