2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine

C26H23N3 — CID 143444775

About 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine

2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 143444775) has the molecular formula C26H23N3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
• PubChem CID: 143444775
• Molecular Formula: C26H23N3
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.19
• IUPAC Name: 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
• SMILES: C/C=C\C(=C/C)c1nc(-c2ccccc2)nc(-c2ccc3cc(C)ccc3c2)n1
• InChI: InChI=1S/C26H23N3/c1-4-9-19(5-2)24-27-25(20-10-7-6-8-11-20)29-26(28-24)23-15-14-21-16-18(3)12-13-22(21)17-23/h4-17H,1-3H3/b9-4-,19-5+
• InChIKey: RUSFHKLLFUMRPZ-WTFVYTDDSA-N
• XLogP: 6.65
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine (CID 143444775) is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine is C/C=C\C(=C/C)c1nc(-c2ccccc2)nc(-c2ccc3cc(C)ccc3c2)n1.

What is the InChIKey of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?

The InChIKey is RUSFHKLLFUMRPZ-WTFVYTDDSA-N. The full InChI is InChI=1S/C26H23N3/c1-4-9-19(5-2)24-27-25(20-10-7-6-8-11-20)29-26(28-24)23-15-14-21-16-18(3)12-13-22(21)17-23/h4-17H,1-3H3/b9-4-,19-5+.

What are the key properties of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?

2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 377.49 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 143444775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).