9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene

C76H48 — CID 59523732

About 9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene

9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene (PubChem CID 59523732) has the molecular formula C76H48 and a molecular weight of 961.22 g/mol. Its IUPAC name is 9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene.

Molecular Properties

• Compound Name: 9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene
• PubChem CID: 59523732
• Molecular Formula: C76H48
• Molecular Weight: 961.22 g/mol
• Exact Mass: 960.38
• IUPAC Name: 9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene
• SMILES: c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7c(-c8c9ccccc9c(-c9ccc(-c%10ccc%11ccccc%11c%10)cc9)c9ccccc89)cccc67)cc5)c5ccccc45)cc3)ccc2c1
• InChI: InChI=1S/C76H48/c1-3-17-57-47-59(45-35-49(57)15-1)51-31-39-54(40-32-51)73-65-19-5-7-21-67(65)74(68-22-8-6-20-66(68)73)56-43-37-53(38-44-56)61-27-13-29-63-62(61)28-14-30-64(63)76-71-25-11-9-23-69(71)75(70-24-10-12-26-72(70)76)55-41-33-52(34-42-55)60-46-36-50-16-2-4-18-58(50)48-60/h1-48H
• InChIKey: NJVIWZRZWCFJOR-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-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene?

The IUPAC name of 9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene (CID 59523732) is 9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene.

What is the SMILES notation for 9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene?

The canonical SMILES for 9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene is c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7c(-c8c9ccccc9c(-c9ccc(-c%10ccc%11ccccc%11c%10)cc9)c9ccccc89)cccc67)cc5)c5ccccc45)cc3)ccc2c1.

What is the InChIKey of 9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene?

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

What are the key properties of 9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene?

9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-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-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene is sourced from PubChem (CID 59523732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).