2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine

C150H126N24O3S3 — CID 158850391

About 2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine

2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine (PubChem CID 158850391) has the molecular formula C150H126N24O3S3 and a molecular weight of 2409.02 g/mol. Its IUPAC name is 2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine.

Molecular Properties

• Compound Name: 2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine
• PubChem CID: 158850391
• Molecular Formula: C150H126N24O3S3
• Molecular Weight: 2409.02 g/mol
• Exact Mass: 2406.96
• IUPAC Name: 2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine
• SMILES: Cc1c(-c2nc3nccnc3n2-c2ccccc2)c(C)c(-c2nc3nccnc3n2-c2ccccc2)c(C)c1-c1nc2nccnc2n1-c1ccccc1.Cc1c(C)c(-c2nc3cccnc3o2)c(C)c(C)c1-c1cc(-c2c(C)c(C)c(-c3nc4cccnc4o3)c(C)c2C)cc(-c2c(C)c(C)c(-c3nc4cccnc4o3)c(C)c2C)c1.Cc1c(C)c(-c2nc3cccnc3s2)c(C)c(C)c1-c1cc(-c2c(C)c(C)c(-c3nc4cccnc4s3)c(C)c2C)cc(-c2c(C)c(C)c(-c3nc4cccnc4s3)c(C)c2C)c1
• InChI: InChI=1S/C54H48N6O3.C54H48N6S3.C42H30N12/c2*1-25-31(7)46(52-58-40-16-13-19-55-49(40)61-52)32(8)26(2)43(25)37-22-38(44-27(3)33(9)47(34(10)28(44)4)53-59-41-17-14-20-56-50(41)62-53)24-39(23-37)45-29(5)35(11)48(36(12)30(45)6)54-60-42-18-15-21-57-51(42)63-54;1-25-31(37-49-34-40(46-22-19-43-34)52(37)28-13-7-4-8-14-28)26(2)33(39-51-36-42(48-24-21-45-36)54(39)30-17-11-6-12-18-30)27(3)32(25)38-50-35-41(47-23-20-44-35)53(38)29-15-9-5-10-16-29/h2*13-24H,1-12H3;4-24H,1-3H3
• InChIKey: IZJJSICYBPDXDU-UHFFFAOYSA-N
• XLogP: 37.40
• TPSA: 324.90 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2409.02
LogP ≤ 5	37.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine?

The IUPAC name of 2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine (CID 158850391) is 2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine.

What is the SMILES notation for 2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine?

The canonical SMILES for 2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine is Cc1c(-c2nc3nccnc3n2-c2ccccc2)c(C)c(-c2nc3nccnc3n2-c2ccccc2)c(C)c1-c1nc2nccnc2n1-c1ccccc1.Cc1c(C)c(-c2nc3cccnc3o2)c(C)c(C)c1-c1cc(-c2c(C)c(C)c(-c3nc4cccnc4o3)c(C)c2C)cc(-c2c(C)c(C)c(-c3nc4cccnc4o3)c(C)c2C)c1.Cc1c(C)c(-c2nc3cccnc3s2)c(C)c(C)c1-c1cc(-c2c(C)c(C)c(-c3nc4cccnc4s3)c(C)c2C)cc(-c2c(C)c(C)c(-c3nc4cccnc4s3)c(C)c2C)c1.

What is the InChIKey of 2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine?

The InChIKey is IZJJSICYBPDXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N6O3.C54H48N6S3.C42H30N12/c2*1-25-31(7)46(52-58-40-16-13-19-55-49(40)61-52)32(8)26(2)43(25)37-22-38(44-27(3)33(9)47(34(10)28(44)4)53-59-41-17-14-20-56-50(41)62-53)24-39(23-37)45-29(5)35(11)48(36(12)30(45)6)54-60-42-18-15-21-57-51(42)63-54;1-25-31(37-49-34-40(46-22-19-43-34)52(37)28-13-7-4-8-14-28)26(2)33(39-51-36-42(48-24-21-45-36)54(39)30-17-11-6-12-18-30)27(3)32(25)38-50-35-41(47-23-20-44-35)53(38)29-15-9-5-10-16-29/h2*13-24H,1-12H3;4-24H,1-3H3.

What are the key properties of 2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine?

2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine has a molecular weight of 2409.02 g/mol, XLogP of 37.40, 18 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[2,4,6-trimethyl-3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]imidazo[4,5-b]pyrazine is sourced from PubChem (CID 158850391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).