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

C153H105N21O3S3 — CID 158809104

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

3-phenyl-2-[2-[2,4,6-trimethyl-3,5-bis[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 158809104) has the molecular formula C153H105N21O3S3 and a molecular weight of 2381.87 g/mol. Its IUPAC name is 3-phenyl-2-[2-[2,4,6-trimethyl-3,5-bis[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 3-phenyl-2-[2-[2,4,6-trimethyl-3,5-bis[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
• PubChem CID: 158809104
• Molecular Formula: C153H105N21O3S3
• Molecular Weight: 2381.87 g/mol
• Exact Mass: 2379.79
• IUPAC Name: 3-phenyl-2-[2-[2,4,6-trimethyl-3,5-bis[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
• SMILES: Cc1c(-c2ccccc2-c2nc3cccnc3n2-c2ccccc2)c(C)c(-c2ccccc2-c2nc3cccnc3n2-c2ccccc2)c(C)c1-c1ccccc1-c1nc2cccnc2n1-c1ccccc1.Cc1c(-c2ccccc2-c2nc3cccnc3o2)c(C)c(-c2ccccc2-c2nc3cccnc3o2)c(C)c1-c1ccccc1-c1nc2cccnc2o1.Cc1c(-c2ccccc2-c2nc3cccnc3s2)c(C)c(-c2ccccc2-c2nc3cccnc3s2)c(C)c1-c1ccccc1-c1nc2cccnc2s1
• InChI: InChI=1S/C63H45N9.C45H30N6O3.C45H30N6S3/c1-40-55(46-28-13-16-31-49(46)58-67-52-34-19-37-64-61(52)70(58)43-22-7-4-8-23-43)41(2)57(48-30-15-18-33-51(48)60-69-54-36-21-39-66-63(54)72(60)45-26-11-6-12-27-45)42(3)56(40)47-29-14-17-32-50(47)59-68-53-35-20-38-65-62(53)71(59)44-24-9-5-10-25-44;2*1-25-37(28-13-4-7-16-31(28)40-49-34-19-10-22-46-43(34)52-40)26(2)39(30-15-6-9-18-33(30)42-51-36-21-12-24-48-45(36)54-42)27(3)38(25)29-14-5-8-17-32(29)41-50-35-20-11-23-47-44(35)53-41/h4-39H,1-3H3;2*4-24H,1-3H3
• InChIKey: IULJIHRUBMARTO-UHFFFAOYSA-N
• XLogP: 38.67
• TPSA: 286.23 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2381.87
LogP ≤ 5	38.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of 3-phenyl-2-[2-[2,4,6-trimethyl-3,5-bis[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (CID 158809104) is 3-phenyl-2-[2-[2,4,6-trimethyl-3,5-bis[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine.

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

The canonical SMILES for 3-phenyl-2-[2-[2,4,6-trimethyl-3,5-bis[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is Cc1c(-c2ccccc2-c2nc3cccnc3n2-c2ccccc2)c(C)c(-c2ccccc2-c2nc3cccnc3n2-c2ccccc2)c(C)c1-c1ccccc1-c1nc2cccnc2n1-c1ccccc1.Cc1c(-c2ccccc2-c2nc3cccnc3o2)c(C)c(-c2ccccc2-c2nc3cccnc3o2)c(C)c1-c1ccccc1-c1nc2cccnc2o1.Cc1c(-c2ccccc2-c2nc3cccnc3s2)c(C)c(-c2ccccc2-c2nc3cccnc3s2)c(C)c1-c1ccccc1-c1nc2cccnc2s1.

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

The InChIKey is IULJIHRUBMARTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N9.C45H30N6O3.C45H30N6S3/c1-40-55(46-28-13-16-31-49(46)58-67-52-34-19-37-64-61(52)70(58)43-22-7-4-8-23-43)41(2)57(48-30-15-18-33-51(48)60-69-54-36-21-39-66-63(54)72(60)45-26-11-6-12-27-45)42(3)56(40)47-29-14-17-32-50(47)59-68-53-35-20-38-65-62(53)71(59)44-24-9-5-10-25-44;2*1-25-37(28-13-4-7-16-31(28)40-49-34-19-10-22-46-43(34)52-40)26(2)39(30-15-6-9-18-33(30)42-51-36-21-12-24-48-45(36)54-42)27(3)38(25)29-14-5-8-17-32(29)41-50-35-20-11-23-47-44(35)53-41/h4-39H,1-3H3;2*4-24H,1-3H3.

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

3-phenyl-2-[2-[2,4,6-trimethyl-3,5-bis[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 2381.87 g/mol, XLogP of 38.67, 21 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-2-[2-[2,4,6-trimethyl-3,5-bis[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2-[2,4,6-trimethyl-3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 158809104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).