3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine

C42H36N2 — CID 144782355

About 3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine

3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine (PubChem CID 144782355) has the molecular formula C42H36N2 and a molecular weight of 568.76 g/mol. Its IUPAC name is 3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine
• PubChem CID: 144782355
• Molecular Formula: C42H36N2
• Molecular Weight: 568.76 g/mol
• Exact Mass: 568.29
• IUPAC Name: 3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine
• SMILES: C=C/C=C\C(=C/C)c1cc(-c2cccnc2)cc(-c2cccc(-c3cc(/C(C=C)=C/C=C\C)cc(-c4cccnc4)c3)c2)c1
• InChI: InChI=1S/C42H36N2/c1-5-9-14-31(7-3)37-23-39(27-41(25-37)35-18-12-20-43-29-35)33-16-11-17-34(22-33)40-24-38(32(8-4)15-10-6-2)26-42(28-40)36-19-13-21-44-30-36/h5-30H,1,4H2,2-3H3/b10-6-,14-9-,31-7+,32-15+
• InChIKey: FXBLFVIEQNNLPV-ULBCTOPDSA-N
• XLogP: 11.44
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.76
LogP ≤ 5	11.44
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 3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine?

The IUPAC name of 3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine (CID 144782355) is 3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine.

What is the SMILES notation for 3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine?

The canonical SMILES for 3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine is C=C/C=C\C(=C/C)c1cc(-c2cccnc2)cc(-c2cccc(-c3cc(/C(C=C)=C/C=C\C)cc(-c4cccnc4)c3)c2)c1.

What is the InChIKey of 3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine?

The InChIKey is FXBLFVIEQNNLPV-ULBCTOPDSA-N. The full InChI is InChI=1S/C42H36N2/c1-5-9-14-31(7-3)37-23-39(27-41(25-37)35-18-12-20-43-29-35)33-16-11-17-34(22-33)40-24-38(32(8-4)15-10-6-2)26-42(28-40)36-19-13-21-44-30-36/h5-30H,1,4H2,2-3H3/b10-6-,14-9-,31-7+,32-15+.

What are the key properties of 3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine?

3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine has a molecular weight of 568.76 g/mol, XLogP of 11.44, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 144782355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).