9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole

C56H37N — CID 118027278

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

9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole (PubChem CID 118027278) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is 9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole
• PubChem CID: 118027278
• Molecular Formula: C56H37N
• Molecular Weight: 723.92 g/mol
• Exact Mass: 723.29
• IUPAC Name: 9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole
• SMILES: C(=C/c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1)\c1ccc(-c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C56H37N/c1-2-12-44-37-45(32-31-40(44)11-1)41-27-23-38(24-28-41)21-22-39-25-29-42(30-26-39)55-49-15-3-5-17-51(49)56(52-18-6-4-16-50(52)55)43-33-35-46(36-34-43)57-53-19-9-7-13-47(53)48-14-8-10-20-54(48)57/h1-37H/b22-21+
• InChIKey: DXJFMAAYHBFVFM-QURGRASLSA-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 9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole?

The IUPAC name of 9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole (CID 118027278) is 9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole.

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

The canonical SMILES for 9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole is C(=C/c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1)\c1ccc(-c2ccc3ccccc3c2)cc1.

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

The InChIKey is DXJFMAAYHBFVFM-QURGRASLSA-N. The full InChI is InChI=1S/C56H37N/c1-2-12-44-37-45(32-31-40(44)11-1)41-27-23-38(24-28-41)21-22-39-25-29-42(30-26-39)55-49-15-3-5-17-51(49)56(52-18-6-4-16-50(52)55)43-33-35-46(36-34-43)57-53-19-9-7-13-47(53)48-14-8-10-20-54(48)57/h1-37H/b22-21+.

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

9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole 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 9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 118027278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).