4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole

C181H113N19O4 — CID 158648643

About 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 158648643) has the molecular formula C181H113N19O4 and a molecular weight of 2618.02 g/mol. Its IUPAC name is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

• Compound Name: 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole
• PubChem CID: 158648643
• Molecular Formula: C181H113N19O4
• Molecular Weight: 2618.02 g/mol
• Exact Mass: 2615.92
• IUPAC Name: 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc(-c6ccccc6)nc45)c(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc(-c6ccccc6)nc45)c(-c4cccc5cccnc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc(-c6ccccc6)nc45)c(-c4cccc5cnccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc(-c6ccccc6)nc45)c(-c4nc5ccccc5c5ccccc45)c3)n2)cc1
• InChI: InChI=1S/C48H30N4O.C47H29N5O.2C43H27N5O/c1-4-15-31(16-5-1)45-50-46(32-17-6-2-7-18-32)52-47(51-45)35-27-28-39(40-25-14-26-43-44(40)49-48(53-43)33-19-8-3-9-20-33)42(30-35)41-29-34-21-10-11-22-36(34)37-23-12-13-24-38(37)41;1-4-15-30(16-5-1)44-50-45(31-17-6-2-7-18-31)52-46(51-44)33-27-28-35(38-24-14-26-41-43(38)49-47(53-41)32-19-8-3-9-20-32)39(29-33)42-37-23-11-10-21-34(37)36-22-12-13-25-40(36)48-42;1-4-13-29(14-5-1)40-46-41(30-15-6-2-7-16-30)48-42(47-40)32-24-25-33(36(27-32)35-21-10-19-28-20-12-26-44-38(28)35)34-22-11-23-37-39(34)45-43(49-37)31-17-8-3-9-18-31;1-4-12-28(13-5-1)40-46-41(29-14-6-2-7-15-29)48-42(47-40)31-22-23-35(37(26-31)34-19-10-18-32-27-44-25-24-33(32)34)36-20-11-21-38-39(36)45-43(49-38)30-16-8-3-9-17-30/h1-30H;1-29H;2*1-27H
• InChIKey: IBGWOIIVMDBKIU-UHFFFAOYSA-N
• XLogP: 45.16
• TPSA: 297.47 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2618.02
LogP ≤ 5	45.16
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 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole?

The IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole (CID 158648643) is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole.

What is the SMILES notation for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole?

The canonical SMILES for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc(-c6ccccc6)nc45)c(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc(-c6ccccc6)nc45)c(-c4cccc5cccnc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc(-c6ccccc6)nc45)c(-c4cccc5cnccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc(-c6ccccc6)nc45)c(-c4nc5ccccc5c5ccccc45)c3)n2)cc1.

What is the InChIKey of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole?

The InChIKey is IBGWOIIVMDBKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O.C47H29N5O.2C43H27N5O/c1-4-15-31(16-5-1)45-50-46(32-17-6-2-7-18-32)52-47(51-45)35-27-28-39(40-25-14-26-43-44(40)49-48(53-43)33-19-8-3-9-20-33)42(30-35)41-29-34-21-10-11-22-36(34)37-23-12-13-24-38(37)41;1-4-15-30(16-5-1)44-50-45(31-17-6-2-7-18-31)52-46(51-44)33-27-28-35(38-24-14-26-41-43(38)49-47(53-41)32-19-8-3-9-20-32)39(29-33)42-37-23-11-10-21-34(37)36-22-12-13-25-40(36)48-42;1-4-13-29(14-5-1)40-46-41(30-15-6-2-7-16-30)48-42(47-40)32-24-25-33(36(27-32)35-21-10-19-28-20-12-26-44-38(28)35)34-22-11-23-37-39(34)45-43(49-37)31-17-8-3-9-18-31;1-4-12-28(13-5-1)40-46-41(29-14-6-2-7-15-29)48-42(47-40)31-22-23-35(37(26-31)34-19-10-18-32-27-44-25-24-33(32)34)36-20-11-21-38-39(36)45-43(49-38)30-16-8-3-9-17-30/h1-30H;1-29H;2*1-27H.

What are the key properties of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole?

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole has a molecular weight of 2618.02 g/mol, XLogP of 45.16, 24 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 158648643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).