7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine

C54H39NO — CID 144660807

About 7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine

7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine (PubChem CID 144660807) has the molecular formula C54H39NO and a molecular weight of 717.91 g/mol. Its IUPAC name is 7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine.

Molecular Properties

• Compound Name: 7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
• PubChem CID: 144660807
• Molecular Formula: C54H39NO
• Molecular Weight: 717.91 g/mol
• Exact Mass: 717.30
• IUPAC Name: 7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
• SMILES: C=C/C=C(\C=C/C)C1(c2ccccc2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)ccc2-c2c1ccc1c2oc2ccccc21
• InChI: InChI=1S/C54H39NO/c1-3-15-41(16-4-2)54(42-21-9-6-10-22-42)49-34-33-47-46-23-13-14-24-51(46)56-53(47)52(49)48-32-31-45(36-50(48)54)55(44-30-27-38-19-11-12-20-40(38)35-44)43-28-25-39(26-29-43)37-17-7-5-8-18-37/h3-36H,1H2,2H3/b16-4-,41-15+
• InChIKey: PGSIDZQOVOXAGR-CRSMYTOYSA-N
• XLogP: 14.88
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.91
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?

The IUPAC name of 7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine (CID 144660807) is 7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine.

What is the SMILES notation for 7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?

The canonical SMILES for 7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine is C=C/C=C(\C=C/C)C1(c2ccccc2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)ccc2-c2c1ccc1c2oc2ccccc21.

What is the InChIKey of 7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?

The InChIKey is PGSIDZQOVOXAGR-CRSMYTOYSA-N. The full InChI is InChI=1S/C54H39NO/c1-3-15-41(16-4-2)54(42-21-9-6-10-22-42)49-34-33-47-46-23-13-14-24-51(46)56-53(47)52(49)48-32-31-45(36-50(48)54)55(44-30-27-38-19-11-12-20-40(38)35-44)43-28-25-39(26-29-43)37-17-7-5-8-18-37/h3-36H,1H2,2H3/b16-4-,41-15+.

What are the key properties of 7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?

7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine has a molecular weight of 717.91 g/mol, XLogP of 14.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine is sourced from PubChem (CID 144660807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).