9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene

C74H46 — CID 172546641

About 9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene

9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene (PubChem CID 172546641) has the molecular formula C74H46 and a molecular weight of 935.18 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene.

Molecular Properties

• Compound Name: 9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene
• PubChem CID: 172546641
• Molecular Formula: C74H46
• Molecular Weight: 935.18 g/mol
• Exact Mass: 934.36
• IUPAC Name: 9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene
• SMILES: c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccc(-c7ccc8cccc(-c9c%10ccccc%10c(-c%10cccc%11ccccc%10%11)c%10ccccc9%10)c8c7)cc56)c5ccccc45)cc3)cccc2c1
• InChI: InChI=1S/C74H46/c1-3-23-55-47(17-1)19-13-33-56(55)51-37-41-52(42-38-51)71-59-25-5-7-27-61(59)73(62-28-8-6-26-60(62)71)67-35-15-21-49-39-43-53(45-69(49)67)54-44-40-50-22-16-36-68(70(50)46-54)74-65-31-11-9-29-63(65)72(64-30-10-12-32-66(64)74)58-34-14-20-48-18-2-4-24-57(48)58/h1-46H
• InChIKey: IHDFEPOMPTVHQL-UHFFFAOYSA-N
• XLogP: 20.91
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.18
LogP ≤ 5	20.91
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-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene?

The IUPAC name of 9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene (CID 172546641) is 9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene.

What is the SMILES notation for 9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene?

The canonical SMILES for 9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene is c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccc(-c7ccc8cccc(-c9c%10ccccc%10c(-c%10cccc%11ccccc%10%11)c%10ccccc9%10)c8c7)cc56)c5ccccc45)cc3)cccc2c1.

What is the InChIKey of 9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene?

The InChIKey is IHDFEPOMPTVHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46/c1-3-23-55-47(17-1)19-13-33-56(55)51-37-41-52(42-38-51)71-59-25-5-7-27-61(59)73(62-28-8-6-26-60(62)71)67-35-15-21-49-39-43-53(45-69(49)67)54-44-40-50-22-16-36-68(70(50)46-54)74-65-31-11-9-29-63(65)72(64-30-10-12-32-66(64)74)58-34-14-20-48-18-2-4-24-57(48)58/h1-46H.

What are the key properties of 9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene?

9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene has a molecular weight of 935.18 g/mol, XLogP of 20.91, 6 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-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene is sourced from PubChem (CID 172546641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).