9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene

C76H48 — CID 168786911

About 9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene

9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene (PubChem CID 168786911) has the molecular formula C76H48 and a molecular weight of 961.22 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene.

Molecular Properties

• Compound Name: 9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene
• PubChem CID: 168786911
• Molecular Formula: C76H48
• Molecular Weight: 961.22 g/mol
• Exact Mass: 960.38
• IUPAC Name: 9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene
• SMILES: c1cc(-c2cc3ccccc3cc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)cc2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1
• InChI: InChI=1S/C76H48/c1-2-21-56-48-72(57-24-15-25-58(46-57)75-67-32-11-13-34-69(67)76(70-35-14-12-33-68(70)75)62-37-17-23-50-19-4-6-27-61(50)62)71(47-55(56)20-1)52-40-44-54(45-41-52)74-65-30-9-7-28-63(65)73(64-29-8-10-31-66(64)74)53-42-38-51(39-43-53)60-36-16-22-49-18-3-5-26-59(49)60/h1-48H
• InChIKey: RUAWYJOYHZWAOG-UHFFFAOYSA-N
• XLogP: 21.43
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	961.22
LogP ≤ 5	21.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene?

The IUPAC name of 9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene (CID 168786911) is 9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene.

What is the SMILES notation for 9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene?

The canonical SMILES for 9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene is c1cc(-c2cc3ccccc3cc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)cc2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.

What is the InChIKey of 9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene?

The InChIKey is RUAWYJOYHZWAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48/c1-2-21-56-48-72(57-24-15-25-58(46-57)75-67-32-11-13-34-69(67)76(70-35-14-12-33-68(70)75)62-37-17-23-50-19-4-6-27-61(50)62)71(47-55(56)20-1)52-40-44-54(45-41-52)74-65-30-9-7-28-63(65)73(64-29-8-10-31-66(64)74)53-42-38-51(39-43-53)60-36-16-22-49-18-3-5-26-59(49)60/h1-48H.

What are the key properties of 9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene?

9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene has a molecular weight of 961.22 g/mol, XLogP of 21.43, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene is sourced from PubChem (CID 168786911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).