N-[(1Z,3E)-4-[4-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]penta-1,3-dienyl]methanimine

C56H43N5 — CID 129297494

About N-[(1Z,3E)-4-[4-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]penta-1,3-dienyl]methanimine

N-[(1Z,3E)-4-[4-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]penta-1,3-dienyl]methanimine (PubChem CID 129297494) has the molecular formula C56H43N5 and a molecular weight of 786.00 g/mol. Its IUPAC name is N-[(1Z,3E)-4-[4-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]penta-1,3-dienyl]methanimine.

Molecular Properties

• Compound Name: N-[(1Z,3E)-4-[4-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]penta-1,3-dienyl]methanimine
• PubChem CID: 129297494
• Molecular Formula: C56H43N5
• Molecular Weight: 786.00 g/mol
• Exact Mass: 785.35
• IUPAC Name: N-[(1Z,3E)-4-[4-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]penta-1,3-dienyl]methanimine
• SMILES: C=N/C=C\C=C(/C)c1ccc(-c2nc(-c3ccc(-c4ccc(C)nc4C)cc3)nc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cccc5ccccc45)c3)n2)cc1
• InChI: InChI=1S/C56H43N5/c1-37(12-11-33-57-4)40-20-28-46(29-21-40)54-59-55(47-30-26-45(27-31-47)51-32-19-38(2)58-39(51)3)61-56(60-54)50-35-48(43-24-22-42(23-25-43)41-13-6-5-7-14-41)34-49(36-50)53-18-10-16-44-15-8-9-17-52(44)53/h5-36H,4H2,1-3H3/b33-11-,37-12+
• InChIKey: IWVCTCNDICCPKJ-RXOABRDDSA-N
• XLogP: 14.32
• TPSA: 63.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.00
LogP ≤ 5	14.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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,3E)-4-[4-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]penta-1,3-dienyl]methanimine?

The IUPAC name of N-[(1Z,3E)-4-[4-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]penta-1,3-dienyl]methanimine (CID 129297494) is N-[(1Z,3E)-4-[4-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]penta-1,3-dienyl]methanimine.

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

The canonical SMILES for N-[(1Z,3E)-4-[4-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]penta-1,3-dienyl]methanimine is C=N/C=C\C=C(/C)c1ccc(-c2nc(-c3ccc(-c4ccc(C)nc4C)cc3)nc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cccc5ccccc45)c3)n2)cc1.

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

The InChIKey is IWVCTCNDICCPKJ-RXOABRDDSA-N. The full InChI is InChI=1S/C56H43N5/c1-37(12-11-33-57-4)40-20-28-46(29-21-40)54-59-55(47-30-26-45(27-31-47)51-32-19-38(2)58-39(51)3)61-56(60-54)50-35-48(43-24-22-42(23-25-43)41-13-6-5-7-14-41)34-49(36-50)53-18-10-16-44-15-8-9-17-52(44)53/h5-36H,4H2,1-3H3/b33-11-,37-12+.

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

N-[(1Z,3E)-4-[4-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]penta-1,3-dienyl]methanimine has a molecular weight of 786.00 g/mol, XLogP of 14.32, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1Z,3E)-4-[4-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]penta-1,3-dienyl]methanimine is sourced from PubChem (CID 129297494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).