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

C98H64 — CID 159854260

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

9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene (PubChem CID 159854260) has the molecular formula C98H64 and a molecular weight of 1241.59 g/mol. Its IUPAC name is 9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene.

Molecular Properties

• Compound Name: 9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene
• PubChem CID: 159854260
• Molecular Formula: C98H64
• Molecular Weight: 1241.59 g/mol
• Exact Mass: 1240.50
• IUPAC Name: 9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene
• SMILES: c1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)cc3)ccc2c1
• InChI: InChI=1S/C52H34.C46H30/c1-2-13-41-33-43(32-27-35(41)11-1)37-25-23-36(24-26-37)42-15-9-16-44(34-42)52-49-20-7-5-18-47(49)51(48-19-6-8-21-50(48)52)40-30-28-39(29-31-40)46-22-10-14-38-12-3-4-17-45(38)46;1-2-12-37-30-38(29-22-31(37)10-1)32-20-25-35(26-21-32)45-41-15-5-7-17-43(41)46(44-18-8-6-16-42(44)45)36-27-23-34(24-28-36)40-19-9-13-33-11-3-4-14-39(33)40/h1-34H;1-30H
• InChIKey: NQIBCHPZMBBETJ-UHFFFAOYSA-N
• XLogP: 27.60
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1241.59
LogP ≤ 5	27.60
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-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene?

The IUPAC name of 9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene (CID 159854260) is 9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene.

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

The canonical SMILES for 9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene is c1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)cc3)ccc2c1.

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

The InChIKey is NQIBCHPZMBBETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34.C46H30/c1-2-13-41-33-43(32-27-35(41)11-1)37-25-23-36(24-26-37)42-15-9-16-44(34-42)52-49-20-7-5-18-47(49)51(48-19-6-8-21-50(48)52)40-30-28-39(29-31-40)46-22-10-14-38-12-3-4-17-45(38)46;1-2-12-37-30-38(29-22-31(37)10-1)32-20-25-35(26-21-32)45-41-15-5-7-17-43(41)46(44-18-8-6-16-42(44)45)36-27-23-34(24-28-36)40-19-9-13-33-11-3-4-14-39(33)40/h1-34H;1-30H.

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

9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene has a molecular weight of 1241.59 g/mol, XLogP of 27.60, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene is sourced from PubChem (CID 159854260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).