6-phenyl-N-[(3Z,5E)-6-phenylhepta-1,3,5-trien-2-yl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine

C53H39NO — CID 139469595

About 6-phenyl-N-[(3Z,5E)-6-phenylhepta-1,3,5-trien-2-yl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine

6-phenyl-N-[(3Z,5E)-6-phenylhepta-1,3,5-trien-2-yl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 139469595) has the molecular formula C53H39NO and a molecular weight of 705.90 g/mol. Its IUPAC name is 6-phenyl-N-[(3Z,5E)-6-phenylhepta-1,3,5-trien-2-yl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

• Compound Name: 6-phenyl-N-[(3Z,5E)-6-phenylhepta-1,3,5-trien-2-yl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
• PubChem CID: 139469595
• Molecular Formula: C53H39NO
• Molecular Weight: 705.90 g/mol
• Exact Mass: 705.30
• IUPAC Name: 6-phenyl-N-[(3Z,5E)-6-phenylhepta-1,3,5-trien-2-yl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
• SMILES: C=C(/C=C\C=C(/C)c1ccccc1)N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12
• InChI: InChI=1S/C53H39NO/c1-37(39-18-6-3-7-19-39)16-14-17-38(2)54(46-34-32-43(33-35-46)42-30-28-41(29-31-42)40-20-8-4-9-21-40)50-27-15-26-48-51-47-25-13-12-24-45(47)36-49(53(51)55-52(48)50)44-22-10-5-11-23-44/h3-36H,2H2,1H3/b17-14-,37-16+
• InChIKey: CMYBTNPYBFIPRX-RSVZHBJOSA-N
• XLogP: 15.05
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.90
LogP ≤ 5	15.05
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 6-phenyl-N-[(3Z,5E)-6-phenylhepta-1,3,5-trien-2-yl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine?

The IUPAC name of 6-phenyl-N-[(3Z,5E)-6-phenylhepta-1,3,5-trien-2-yl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine (CID 139469595) is 6-phenyl-N-[(3Z,5E)-6-phenylhepta-1,3,5-trien-2-yl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine.

What is the SMILES notation for 6-phenyl-N-[(3Z,5E)-6-phenylhepta-1,3,5-trien-2-yl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine?

The canonical SMILES for 6-phenyl-N-[(3Z,5E)-6-phenylhepta-1,3,5-trien-2-yl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine is C=C(/C=C\C=C(/C)c1ccccc1)N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12.

What is the InChIKey of 6-phenyl-N-[(3Z,5E)-6-phenylhepta-1,3,5-trien-2-yl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine?

The InChIKey is CMYBTNPYBFIPRX-RSVZHBJOSA-N. The full InChI is InChI=1S/C53H39NO/c1-37(39-18-6-3-7-19-39)16-14-17-38(2)54(46-34-32-43(33-35-46)42-30-28-41(29-31-42)40-20-8-4-9-21-40)50-27-15-26-48-51-47-25-13-12-24-45(47)36-49(53(51)55-52(48)50)44-22-10-5-11-23-44/h3-36H,2H2,1H3/b17-14-,37-16+.

What are the key properties of 6-phenyl-N-[(3Z,5E)-6-phenylhepta-1,3,5-trien-2-yl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine?

6-phenyl-N-[(3Z,5E)-6-phenylhepta-1,3,5-trien-2-yl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 705.90 g/mol, XLogP of 15.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-N-[(3Z,5E)-6-phenylhepta-1,3,5-trien-2-yl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 139469595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).