4-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole

C173H109N19O4 — CID 159149411

About 4-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole

4-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 159149411) has the molecular formula C173H109N19O4 and a molecular weight of 2517.90 g/mol. Its IUPAC name is 4-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

• Compound Name: 4-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole
• PubChem CID: 159149411
• Molecular Formula: C173H109N19O4
• Molecular Weight: 2517.90 g/mol
• Exact Mass: 2515.89
• IUPAC Name: 4-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ncccc45)cc(-c4cccc5oc(-c6ccccc6)nc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc5ccccc5c5ccccc45)cc(-c4cccc5oc(-c6ccccc6)nc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4cccnc4)c3)n2)cc1
• InChI: InChI=1S/2C47H29N5O.C40H26N4O.C39H25N5O/c1-4-14-30(15-5-1)44-50-45(31-16-6-2-7-17-31)52-46(51-44)36-27-34(38-22-12-24-41-43(38)49-47(53-41)32-18-8-3-9-19-32)26-35(28-36)40-29-33-20-10-11-21-37(33)42-39(40)23-13-25-48-42;1-4-15-30(16-5-1)44-50-45(31-17-6-2-7-18-31)52-46(51-44)35-28-33(36-24-14-26-41-43(36)49-47(53-41)32-19-8-3-9-20-32)27-34(29-35)42-39-23-11-10-21-37(39)38-22-12-13-25-40(38)48-42;1-5-13-27(14-6-1)34-25-32(39-43-37(28-15-7-2-8-16-28)42-38(44-39)29-17-9-3-10-18-29)21-23-33(34)31-22-24-36-35(26-31)41-40(45-36)30-19-11-4-12-20-30;1-4-11-26(12-5-1)36-42-37(27-13-6-2-7-14-27)44-38(43-36)30-18-20-32(33(23-30)31-17-10-22-40-25-31)29-19-21-35-34(24-29)41-39(45-35)28-15-8-3-9-16-28/h2*1-29H;1-26H;1-25H
• InChIKey: KJBYFJHNISQOIC-UHFFFAOYSA-N
• XLogP: 42.86
• TPSA: 297.47 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2517.90
LogP ≤ 5	42.86
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-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole?

The IUPAC name of 4-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole (CID 159149411) is 4-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole.

What is the SMILES notation for 4-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole?

The canonical SMILES for 4-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ncccc45)cc(-c4cccc5oc(-c6ccccc6)nc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc5ccccc5c5ccccc45)cc(-c4cccc5oc(-c6ccccc6)nc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c(-c4cccnc4)c3)n2)cc1.

What is the InChIKey of 4-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole?

The InChIKey is KJBYFJHNISQOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H29N5O.C40H26N4O.C39H25N5O/c1-4-14-30(15-5-1)44-50-45(31-16-6-2-7-17-31)52-46(51-44)36-27-34(38-22-12-24-41-43(38)49-47(53-41)32-18-8-3-9-19-32)26-35(28-36)40-29-33-20-10-11-21-37(33)42-39(40)23-13-25-48-42;1-4-15-30(16-5-1)44-50-45(31-17-6-2-7-18-31)52-46(51-44)35-28-33(36-24-14-26-41-43(36)49-47(53-41)32-19-8-3-9-20-32)27-34(29-35)42-39-23-11-10-21-37(39)38-22-12-13-25-40(38)48-42;1-5-13-27(14-6-1)34-25-32(39-43-37(28-15-7-2-8-16-28)42-38(44-39)29-17-9-3-10-18-29)21-23-33(34)31-22-24-36-35(26-31)41-40(45-36)30-19-11-4-12-20-30;1-4-11-26(12-5-1)36-42-37(27-13-6-2-7-14-27)44-38(43-36)30-18-20-32(33(23-30)31-17-10-22-40-25-31)29-19-21-35-34(24-29)41-39(45-35)28-15-8-3-9-16-28/h2*1-29H;1-26H;1-25H.

What are the key properties of 4-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole?

4-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole has a molecular weight of 2517.90 g/mol, XLogP of 42.86, 24 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-benzo[h]quinolin-5-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthridin-6-ylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzoxazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 159149411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).