2-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-9-phenylcarbazole

C56H37N — CID 123489524

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

2-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-9-phenylcarbazole (PubChem CID 123489524) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is 2-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-9-phenylcarbazole
• PubChem CID: 123489524
• Molecular Formula: C56H37N
• Molecular Weight: 723.92 g/mol
• Exact Mass: 723.29
• IUPAC Name: 2-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-9-phenylcarbazole
• SMILES: C(=Cc1ccc(-c2c3ccccc3c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3ccccc23)cc1)c1ccc(-c2cccc3ccccc23)cc1
• InChI: InChI=1S/C56H37N/c1-2-15-44(16-3-1)57-53-24-11-10-18-47(53)48-36-35-43(37-54(48)57)56-51-21-8-6-19-49(51)55(50-20-7-9-22-52(50)56)42-33-29-39(30-34-42)26-25-38-27-31-41(32-28-38)46-23-12-14-40-13-4-5-17-45(40)46/h1-37H
• InChIKey: HFEADZXGVVOIAR-UHFFFAOYSA-N
• XLogP: 15.41
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.92
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-9-phenylcarbazole (CID 123489524) is 2-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-9-phenylcarbazole.

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

The canonical SMILES for 2-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-9-phenylcarbazole is C(=Cc1ccc(-c2c3ccccc3c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3ccccc23)cc1)c1ccc(-c2cccc3ccccc23)cc1.

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

The InChIKey is HFEADZXGVVOIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-2-15-44(16-3-1)57-53-24-11-10-18-47(53)48-36-35-43(37-54(48)57)56-51-21-8-6-19-49(51)55(50-20-7-9-22-52(50)56)42-33-29-39(30-34-42)26-25-38-27-31-41(32-28-38)46-23-12-14-40-13-4-5-17-45(40)46/h1-37H.

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

2-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 723.92 g/mol, XLogP of 15.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 123489524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).