N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine

C41H35N3 — CID 166780398

About N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine

N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine (PubChem CID 166780398) has the molecular formula C41H35N3 and a molecular weight of 569.75 g/mol. Its IUPAC name is N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine.

Molecular Properties

• Compound Name: N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine
• PubChem CID: 166780398
• Molecular Formula: C41H35N3
• Molecular Weight: 569.75 g/mol
• Exact Mass: 569.28
• IUPAC Name: N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine
• SMILES: C=C/C=C\C=C(/C)c1cc(-c2cc(/C(=C/C=C\C)N=C)cc(-c3ccc(-c4ccccc4)cn3)c2)cc(-c2ccccc2)n1
• InChI: InChI=1S/C41H35N3/c1-5-7-11-16-30(3)40-27-35(28-41(44-40)32-19-14-10-15-20-32)34-24-36(38(42-4)21-8-6-2)26-37(25-34)39-23-22-33(29-43-39)31-17-12-9-13-18-31/h5-29H,1,4H2,2-3H3/b8-6-,11-7-,30-16+,38-21-
• InChIKey: KKQKVYRHRMVNIL-HOGVAKPCSA-N
• XLogP: 10.91
• TPSA: 38.14 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.75
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine?

The IUPAC name of N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine (CID 166780398) is N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine.

What is the SMILES notation for N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine?

The canonical SMILES for N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine is C=C/C=C\C=C(/C)c1cc(-c2cc(/C(=C/C=C\C)N=C)cc(-c3ccc(-c4ccccc4)cn3)c2)cc(-c2ccccc2)n1.

What is the InChIKey of N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine?

The InChIKey is KKQKVYRHRMVNIL-HOGVAKPCSA-N. The full InChI is InChI=1S/C41H35N3/c1-5-7-11-16-30(3)40-27-35(28-41(44-40)32-19-14-10-15-20-32)34-24-36(38(42-4)21-8-6-2)26-37(25-34)39-23-22-33(29-43-39)31-17-12-9-13-18-31/h5-29H,1,4H2,2-3H3/b8-6-,11-7-,30-16+,38-21-.

What are the key properties of N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine?

N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine has a molecular weight of 569.75 g/mol, XLogP of 10.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1Z,3Z)-1-[3-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-4-pyridinyl]-5-(5-phenyl-2-pyridinyl)phenyl]penta-1,3-dienyl]methanimine is sourced from PubChem (CID 166780398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).