2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine

C46H33N3 — CID 146360051

About 2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine

2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 146360051) has the molecular formula C46H33N3 and a molecular weight of 627.79 g/mol. Its IUPAC name is 2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 146360051
• Molecular Formula: C46H33N3
• Molecular Weight: 627.79 g/mol
• Exact Mass: 627.27
• IUPAC Name: 2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
• SMILES: CC1Cc2c(c3ccccc3c3ccccc23)C=C1c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1
• InChI: InChI=1S/C46H33N3/c1-30-26-42-39-24-10-8-22-37(39)38-23-9-11-25-40(38)43(42)29-41(30)46-48-44(35-20-12-18-33(27-35)31-14-4-2-5-15-31)47-45(49-46)36-21-13-19-34(28-36)32-16-6-3-7-17-32/h2-25,27-30H,26H2,1H3
• InChIKey: WMOKRXGAHKHSEL-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.79
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine (CID 146360051) is 2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine is CC1Cc2c(c3ccccc3c3ccccc23)C=C1c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1.

What is the InChIKey of 2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?

The InChIKey is WMOKRXGAHKHSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3/c1-30-26-42-39-24-10-8-22-37(39)38-23-9-11-25-40(38)43(42)29-41(30)46-48-44(35-20-12-18-33(27-35)31-14-4-2-5-15-31)47-45(49-46)36-21-13-19-34(28-36)32-16-6-3-7-17-32/h2-25,27-30H,26H2,1H3.

What are the key properties of 2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?

2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 627.79 g/mol, XLogP of 11.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-3,4-dihydrotriphenylen-2-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146360051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).