2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine

C48H40N8 — CID 145174488

About 2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine

2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine (PubChem CID 145174488) has the molecular formula C48H40N8 and a molecular weight of 728.90 g/mol. Its IUPAC name is 2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine.

Molecular Properties

• Compound Name: 2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine
• PubChem CID: 145174488
• Molecular Formula: C48H40N8
• Molecular Weight: 728.90 g/mol
• Exact Mass: 728.34
• IUPAC Name: 2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine
• SMILES: C/C=C(\N=C\C)c1cccc(-c2nc(C)nc(-c3cccc(-c4ccccn4)c3)n2)c1.Cc1nc(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2)n1
• InChI: InChI=1S/C26H23N5.C22H17N3/c1-4-23(27-5-2)19-10-8-12-21(16-19)25-29-18(3)30-26(31-25)22-13-9-11-20(17-22)24-14-6-7-15-28-24;1-16-23-21(18-11-6-3-7-12-18)25-22(24-16)20-14-8-13-19(15-20)17-9-4-2-5-10-17/h4-17H,1-3H3;2-15H,1H3/b23-4-,27-5+
• InChIKey: YBQWNQOCZRAYSP-KONTYYNCSA-N
• XLogP: 11.21
• TPSA: 102.59 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.90
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine?

The IUPAC name of 2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine (CID 145174488) is 2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine.

What is the SMILES notation for 2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine?

The canonical SMILES for 2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine is C/C=C(\N=C\C)c1cccc(-c2nc(C)nc(-c3cccc(-c4ccccn4)c3)n2)c1.Cc1nc(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2)n1.

What is the InChIKey of 2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine?

The InChIKey is YBQWNQOCZRAYSP-KONTYYNCSA-N. The full InChI is InChI=1S/C26H23N5.C22H17N3/c1-4-23(27-5-2)19-10-8-12-21(16-19)25-29-18(3)30-26(31-25)22-13-9-11-20(17-22)24-14-6-7-15-28-24;1-16-23-21(18-11-6-3-7-12-18)25-22(24-16)20-14-8-13-19(15-20)17-9-4-2-5-10-17/h4-17H,1-3H3;2-15H,1H3/b23-4-,27-5+;.

What are the key properties of 2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine?

2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine has a molecular weight of 728.90 g/mol, XLogP of 11.21, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;N-[(Z)-1-[3-[4-methyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]prop-1-enyl]ethanimine is sourced from PubChem (CID 145174488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).