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

C204H132N12 — CID 165108253

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

4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine (PubChem CID 165108253) has the molecular formula C204H132N12 and a molecular weight of 2751.38 g/mol. Its IUPAC name is 4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine
• PubChem CID: 165108253
• Molecular Formula: C204H132N12
• Molecular Weight: 2751.38 g/mol
• Exact Mass: 2749.07
• IUPAC Name: 4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ncn3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3ccnc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3ncnc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c2)cc1
• InChI: InChI=1S/C52H34N2.C51H33N3.2C34H22N2.C33H21N3/c1-3-14-35(15-4-1)37-18-11-21-41(30-37)50-34-51(42-22-12-19-38(31-42)36-16-5-2-6-17-36)54-52(53-50)43-23-13-20-39(32-43)40-28-29-48-46-26-8-7-24-44(46)45-25-9-10-27-47(45)49(48)33-40;1-3-14-34(15-4-1)36-18-11-21-40(30-36)49-52-50(41-22-12-19-37(31-41)35-16-5-2-6-17-35)54-51(53-49)42-23-13-20-38(32-42)39-28-29-47-45-26-8-7-24-43(45)44-25-9-10-27-46(44)48(47)33-39;1-2-9-23(10-3-1)24-11-8-12-25(19-24)33-21-34(36-22-35-33)26-17-18-31-29-15-5-4-13-27(29)28-14-6-7-16-30(28)32(31)20-26;1-2-9-23(10-3-1)24-11-8-12-25(21-24)33-19-20-35-34(36-33)26-17-18-31-29-15-5-4-13-27(29)28-14-6-7-16-30(28)32(31)22-26;1-2-9-22(10-3-1)23-11-8-12-24(19-23)32-34-21-35-33(36-32)25-17-18-30-28-15-5-4-13-26(28)27-14-6-7-16-29(27)31(30)20-25/h1-34H;1-33H;2*1-22H;1-21H
• InChIKey: ZMYIBOBPQAIFIV-UHFFFAOYSA-N
• XLogP: 53.48
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2751.38
LogP ≤ 5	53.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine (CID 165108253) is 4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine.

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

The canonical SMILES for 4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine is c1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ncn3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3ccnc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3ncnc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c2)cc1.

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

The InChIKey is ZMYIBOBPQAIFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2.C51H33N3.2C34H22N2.C33H21N3/c1-3-14-35(15-4-1)37-18-11-21-41(30-37)50-34-51(42-22-12-19-38(31-42)36-16-5-2-6-17-36)54-52(53-50)43-23-13-20-39(32-43)40-28-29-48-46-26-8-7-24-44(46)45-25-9-10-27-47(45)49(48)33-40;1-3-14-34(15-4-1)36-18-11-21-40(30-36)49-52-50(41-22-12-19-37(31-41)35-16-5-2-6-17-35)54-51(53-49)42-23-13-20-38(32-42)39-28-29-47-45-26-8-7-24-43(45)44-25-9-10-27-46(44)48(47)33-39;1-2-9-23(10-3-1)24-11-8-12-25(19-24)33-21-34(36-22-35-33)26-17-18-31-29-15-5-4-13-27(29)28-14-6-7-16-30(28)32(31)20-26;1-2-9-23(10-3-1)24-11-8-12-25(21-24)33-19-20-35-34(36-33)26-17-18-31-29-15-5-4-13-27(29)28-14-6-7-16-30(28)32(31)22-26;1-2-9-22(10-3-1)23-11-8-12-24(19-23)32-34-21-35-33(36-32)25-17-18-30-28-15-5-4-13-26(28)27-14-6-7-16-29(27)31(30)20-25/h1-34H;1-33H;2*1-22H;1-21H.

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

4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine has a molecular weight of 2751.38 g/mol, XLogP of 53.48, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine is sourced from PubChem (CID 165108253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).