4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine

C119H77N7 — CID 160868917

About 4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine

4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine (PubChem CID 160868917) has the molecular formula C119H77N7 and a molecular weight of 1604.97 g/mol. Its IUPAC name is 4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine
• PubChem CID: 160868917
• Molecular Formula: C119H77N7
• Molecular Weight: 1604.97 g/mol
• Exact Mass: 1603.62
• IUPAC Name: 4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3cc(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)ncn3)c2)cc1.c1ccc(-c2cccc(-c3ccnc(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c2)cc1.c1ccc(-c2cccc(-c3ncnc(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c2)cc1
• InChI: InChI=1S/2C40H26N2.C39H25N3/c1-2-11-27(12-3-1)28-13-10-14-30(23-28)39-25-40(42-26-41-39)37-20-9-4-15-31(37)29-21-22-36-34-18-6-5-16-32(34)33-17-7-8-19-35(33)38(36)24-29;1-2-11-27(12-3-1)28-13-10-14-30(25-28)39-23-24-41-40(42-39)37-20-9-4-15-31(37)29-21-22-36-34-18-6-5-16-32(34)33-17-7-8-19-35(33)38(36)26-29;1-2-11-26(12-3-1)27-13-10-14-29(23-27)38-40-25-41-39(42-38)36-20-9-4-15-30(36)28-21-22-35-33-18-6-5-16-31(33)32-17-7-8-19-34(32)37(35)24-28/h2*1-26H;1-25H
• InChIKey: SLMSNJWMKYQWSL-UHFFFAOYSA-N
• XLogP: 31.21
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1604.97
LogP ≤ 5	31.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine?

The IUPAC name of 4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine (CID 160868917) is 4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3cc(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)ncn3)c2)cc1.c1ccc(-c2cccc(-c3ccnc(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c2)cc1.c1ccc(-c2cccc(-c3ncnc(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c2)cc1.

What is the InChIKey of 4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine?

The InChIKey is SLMSNJWMKYQWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H26N2.C39H25N3/c1-2-11-27(12-3-1)28-13-10-14-30(23-28)39-25-40(42-26-41-39)37-20-9-4-15-31(37)29-21-22-36-34-18-6-5-16-32(34)33-17-7-8-19-35(33)38(36)24-29;1-2-11-27(12-3-1)28-13-10-14-30(25-28)39-23-24-41-40(42-39)37-20-9-4-15-31(37)29-21-22-36-34-18-6-5-16-32(34)33-17-7-8-19-35(33)38(36)26-29;1-2-11-26(12-3-1)27-13-10-14-29(23-27)38-40-25-41-39(42-38)36-20-9-4-15-30(36)28-21-22-35-33-18-6-5-16-31(33)32-17-7-8-19-34(32)37(35)24-28/h2*1-26H;1-25H.

What are the key properties of 4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine?

4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine has a molecular weight of 1604.97 g/mol, XLogP of 31.21, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 160868917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).