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

C244H152N36O6 — CID 158601040

About 2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-3-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-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-3-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 158601040) has the molecular formula C244H152N36O6 and a molecular weight of 3684.15 g/mol. Its IUPAC name is 2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-3-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-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-3-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: 158601040
• Molecular Formula: C244H152N36O6
• Molecular Weight: 3684.15 g/mol
• Exact Mass: 3681.27
• IUPAC Name: 2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-3-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.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4cccc(-c5ccccn5)c4)n3)c2)nc1.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.c1cncc(-c2cccc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4cccc(-c5cccnc5)c4)n3)c2)c1
• InChI: InChI=1S/2C46H28N6O.4C38H24N6O/c1-2-14-40-39(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)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;1-2-14-34-33(13-1)41-38(45-34)26-17-15-25(16-18-26)35-42-36(29-9-3-7-27(21-29)31-11-5-19-39-23-31)44-37(43-35)30-10-4-8-28(22-30)32-12-6-20-40-24-32;1-2-16-34-33(15-1)41-38(45-34)26-19-17-25(18-20-26)35-42-36(29-11-7-9-27(23-29)31-13-3-5-21-39-31)44-37(43-35)30-12-8-10-28(24-30)32-14-4-6-22-40-32;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/h2*1-28H;4*1-24H
• InChIKey: HVQHHZWFTGUSAT-UHFFFAOYSA-N
• XLogP: 57.44
• TPSA: 542.88 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 36
• Heavy Atoms: 286
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3684.15
LogP ≤ 5	57.44
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-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-3-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-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-3-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 158601040) is 2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-3-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-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-3-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-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-3-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.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4cccc(-c5ccccn5)c4)n3)c2)nc1.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.c1cncc(-c2cccc(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc(-c4cccc(-c5cccnc5)c4)n3)c2)c1.

What is the InChIKey of 2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-3-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 HVQHHZWFTGUSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N6O.4C38H24N6O/c1-2-14-40-39(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)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;1-2-14-34-33(13-1)41-38(45-34)26-17-15-25(16-18-26)35-42-36(29-9-3-7-27(21-29)31-11-5-19-39-23-31)44-37(43-35)30-10-4-8-28(22-30)32-12-6-20-40-24-32;1-2-16-34-33(15-1)41-38(45-34)26-19-17-25(18-20-26)35-42-36(29-11-7-9-27(23-29)31-13-3-5-21-39-31)44-37(43-35)30-12-8-10-28(24-30)32-14-4-6-22-40-32;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/h2*1-28H;4*1-24H.

What are the key properties of 2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-3-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-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-3-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 3684.15 g/mol, XLogP of 57.44, 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-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-3-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 158601040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).