2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine

C149H115N23 — CID 158972051

About 2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine

2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine (PubChem CID 158972051) has the molecular formula C149H115N23 and a molecular weight of 2227.72 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine
• PubChem CID: 158972051
• Molecular Formula: C149H115N23
• Molecular Weight: 2227.72 g/mol
• Exact Mass: 2225.97
• IUPAC Name: 2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine
• SMILES: CC(C)(C)c1ccc(-n2c(-c3cccc(-c4ccccc4)n3)nnc2-c2cccc(-c3ccccn3)n2)cc1.CC(C)(C)c1ccc(-n2c(-c3cccc(-c4ccccn4)n3)nnc2-c2cccc(-c3cc4ccccc4c4ccccc34)n2)cc1.CC(C)(C)c1ccc(-n2c(-c3cccc(-c4ccccn4)n3)nnc2-c2cccc(-c3cccc4ccccc34)n2)cc1.c1ccc(-n2c(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)nnc2-c2cccc(-c3ccccn3)n2)cc1
• InChI: InChI=1S/C41H32N6.C38H25N5.C37H30N6.C33H28N6/c1-41(2,3)28-21-23-29(24-22-28)47-39(45-46-40(47)38-20-11-18-36(44-38)35-16-8-9-25-42-35)37-19-10-17-34(43-37)33-26-27-12-4-5-13-30(27)31-14-6-7-15-32(31)33;1-2-12-29(13-3-1)43-37(41-42-38(43)36-19-10-18-35(40-36)34-17-8-9-24-39-34)27-22-20-26(21-23-27)33-25-28-11-4-5-14-30(28)31-15-6-7-16-32(31)33;1-37(2,3)26-20-22-27(23-21-26)43-35(41-42-36(43)34-19-10-17-32(40-34)31-15-6-7-24-38-31)33-18-9-16-30(39-33)29-14-8-12-25-11-4-5-13-28(25)29;1-33(2,3)24-18-20-25(21-19-24)39-31(29-16-9-14-26(35-29)23-11-5-4-6-12-23)37-38-32(39)30-17-10-15-28(36-30)27-13-7-8-22-34-27/h4-26H,1-3H3;1-25H;4-24H,1-3H3;4-22H,1-3H3
• InChIKey: JNXYZXVNQRYYBV-UHFFFAOYSA-N
• XLogP: 34.74
• TPSA: 264.63 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2227.72
LogP ≤ 5	34.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine?

The IUPAC name of 2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine (CID 158972051) is 2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine.

What is the SMILES notation for 2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine?

The canonical SMILES for 2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine is CC(C)(C)c1ccc(-n2c(-c3cccc(-c4ccccc4)n3)nnc2-c2cccc(-c3ccccn3)n2)cc1.CC(C)(C)c1ccc(-n2c(-c3cccc(-c4ccccn4)n3)nnc2-c2cccc(-c3cc4ccccc4c4ccccc34)n2)cc1.CC(C)(C)c1ccc(-n2c(-c3cccc(-c4ccccn4)n3)nnc2-c2cccc(-c3cccc4ccccc34)n2)cc1.c1ccc(-n2c(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)nnc2-c2cccc(-c3ccccn3)n2)cc1.

What is the InChIKey of 2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine?

The InChIKey is JNXYZXVNQRYYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N6.C38H25N5.C37H30N6.C33H28N6/c1-41(2,3)28-21-23-29(24-22-28)47-39(45-46-40(47)38-20-11-18-36(44-38)35-16-8-9-25-42-35)37-19-10-17-34(43-37)33-26-27-12-4-5-13-30(27)31-14-6-7-15-32(31)33;1-2-12-29(13-3-1)43-37(41-42-38(43)36-19-10-18-35(40-36)34-17-8-9-24-39-34)27-22-20-26(21-23-27)33-25-28-11-4-5-14-30(28)31-15-6-7-16-32(31)33;1-37(2,3)26-20-22-27(23-21-26)43-35(41-42-36(43)34-19-10-17-32(40-34)31-15-6-7-24-38-31)33-18-9-16-30(39-33)29-14-8-12-25-11-4-5-13-28(25)29;1-33(2,3)24-18-20-25(21-19-24)39-31(29-16-9-14-26(35-29)23-11-5-4-6-12-23)37-38-32(39)30-17-10-15-28(36-30)27-13-7-8-22-34-27/h4-26H,1-3H3;1-25H;4-24H,1-3H3;4-22H,1-3H3.

What are the key properties of 2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine?

2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine has a molecular weight of 2227.72 g/mol, XLogP of 34.74, 20 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 158972051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).