2-[4-[4,6-bis(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole

C260H160N36O6 — CID 160937402

About 2-[4-[4,6-bis(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole

2-[4-[4,6-bis(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 160937402) has the molecular formula C260H160N36O6 and a molecular weight of 3884.39 g/mol. Its IUPAC name is 2-[4-[4,6-bis(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[4-[4,6-bis(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
• PubChem CID: 160937402
• Molecular Formula: C260H160N36O6
• Molecular Weight: 3884.39 g/mol
• Exact Mass: 3881.33
• IUPAC Name: 2-[4-[4,6-bis(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
• SMILES: c1cc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4ccc(-c5cccc6ccncc56)cc4)n3)cc2)c2cnccc2c1.c1cc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4ccc(-c5cccc6cnccc56)cc4)n3)cc2)c2ccncc2c1.c1ccc2c(-c3ccc(-c4nc(-c5ccc(-c6nc7ccccc7o6)cc5)nc(-c5ccc(-c6nccc7ccccc67)cc5)n4)cc3)nccc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5ccc(-c6ccncc6)cc5)nc(-c5ccc(-c6ccncc6)cc5)n4)cc3)nc2c1.c1cnc2c(-c3ccc(-c4nc(-c5ccc(-c6nc7ccccc7o6)cc5)nc(-c5ccc(-c6cccc7cccnc67)cc5)n4)cc3)cccc2c1.c1cncc(-c2ccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc(-c5nc6ccccc6o5)cc4)n3)cc2)c1
• InChI: InChI=1S/4C46H28N6O.2C38H24N6O/c1-3-9-37-29(7-1)25-27-47-41(37)31-13-17-33(18-14-31)43-50-44(34-19-15-32(16-20-34)42-38-10-4-2-8-30(38)26-28-48-42)52-45(51-43)35-21-23-36(24-22-35)46-49-39-11-5-6-12-40(39)53-46;1-2-14-40-39(13-1)49-46(53-40)36-25-23-35(24-26-36)45-51-43(33-19-15-29(16-20-33)37-11-3-7-31-9-5-27-47-41(31)37)50-44(52-45)34-21-17-30(18-22-34)38-12-4-8-32-10-6-28-48-42(32)38;1-2-10-42-41(9-1)49-46(53-42)34-21-19-33(20-22-34)45-51-43(31-15-11-29(12-16-31)37-7-3-5-35-27-47-25-23-39(35)37)50-44(52-45)32-17-13-30(14-18-32)38-8-4-6-36-28-48-26-24-40(36)38;1-2-10-42-41(9-1)49-46(53-42)36-21-19-35(20-22-36)45-51-43(33-15-11-31(12-16-33)37-7-3-5-29-23-25-47-27-39(29)37)50-44(52-45)34-17-13-32(14-18-34)38-8-4-6-30-24-26-48-28-40(30)38;1-2-8-34-33(7-1)41-38(45-34)30-19-17-29(18-20-30)37-43-35(27-13-9-25(10-14-27)31-5-3-21-39-23-31)42-36(44-37)28-15-11-26(12-16-28)32-6-4-22-40-24-32;1-2-4-34-33(3-1)41-38(45-34)32-15-13-31(14-16-32)37-43-35(29-9-5-25(6-10-29)27-17-21-39-22-18-27)42-36(44-37)30-11-7-26(8-12-30)28-19-23-40-24-20-28/h4*1-28H;2*1-24H
• InChIKey: SUBBUPBZMHFPKA-UHFFFAOYSA-N
• XLogP: 62.05
• TPSA: 542.88 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 36
• Heavy Atoms: 302
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3884.39
LogP ≤ 5	62.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,6-bis(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?

The IUPAC name of 2-[4-[4,6-bis(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (CID 160937402) is 2-[4-[4,6-bis(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole.

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

The canonical SMILES for 2-[4-[4,6-bis(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is c1cc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4ccc(-c5cccc6ccncc56)cc4)n3)cc2)c2cnccc2c1.c1cc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4ccc(-c5cccc6cnccc56)cc4)n3)cc2)c2ccncc2c1.c1ccc2c(-c3ccc(-c4nc(-c5ccc(-c6nc7ccccc7o6)cc5)nc(-c5ccc(-c6nccc7ccccc67)cc5)n4)cc3)nccc2c1.c1ccc2oc(-c3ccc(-c4nc(-c5ccc(-c6ccncc6)cc5)nc(-c5ccc(-c6ccncc6)cc5)n4)cc3)nc2c1.c1cnc2c(-c3ccc(-c4nc(-c5ccc(-c6nc7ccccc7o6)cc5)nc(-c5ccc(-c6cccc7cccnc67)cc5)n4)cc3)cccc2c1.c1cncc(-c2ccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc(-c5nc6ccccc6o5)cc4)n3)cc2)c1.

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

The InChIKey is SUBBUPBZMHFPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C46H28N6O.2C38H24N6O/c1-3-9-37-29(7-1)25-27-47-41(37)31-13-17-33(18-14-31)43-50-44(34-19-15-32(16-20-34)42-38-10-4-2-8-30(38)26-28-48-42)52-45(51-43)35-21-23-36(24-22-35)46-49-39-11-5-6-12-40(39)53-46;1-2-14-40-39(13-1)49-46(53-40)36-25-23-35(24-26-36)45-51-43(33-19-15-29(16-20-33)37-11-3-7-31-9-5-27-47-41(31)37)50-44(52-45)34-21-17-30(18-22-34)38-12-4-8-32-10-6-28-48-42(32)38;1-2-10-42-41(9-1)49-46(53-42)34-21-19-33(20-22-34)45-51-43(31-15-11-29(12-16-31)37-7-3-5-35-27-47-25-23-39(35)37)50-44(52-45)32-17-13-30(14-18-32)38-8-4-6-36-28-48-26-24-40(36)38;1-2-10-42-41(9-1)49-46(53-42)36-21-19-35(20-22-36)45-51-43(33-15-11-31(12-16-33)37-7-3-5-29-23-25-47-27-39(29)37)50-44(52-45)34-17-13-32(14-18-34)38-8-4-6-30-24-26-48-28-40(30)38;1-2-8-34-33(7-1)41-38(45-34)30-19-17-29(18-20-30)37-43-35(27-13-9-25(10-14-27)31-5-3-21-39-23-31)42-36(44-37)28-15-11-26(12-16-28)32-6-4-22-40-24-32;1-2-4-34-33(3-1)41-38(45-34)32-15-13-31(14-16-32)37-43-35(29-9-5-25(6-10-29)27-17-21-39-22-18-27)42-36(44-37)30-11-7-26(8-12-30)28-19-23-40-24-20-28/h4*1-28H;2*1-24H.

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

2-[4-[4,6-bis(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole has a molecular weight of 3884.39 g/mol, XLogP of 62.05, 36 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4,6-bis(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 160937402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).