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

C186H110N28O4S4 — CID 158056862

IUPAC3-phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1ccc(-n2c(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7n6-c6ccccc6)cc5)c(-c5ccc(-c6nc7cccnc7n6-c6ccccc6)cc5)cc4-c4ccc(-c5nc6cccnc6n5-c5ccccc5)cc4)cc3)nc3cccnc32)cc1.c1cnc2oc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7o6)cc5)c(-c5ccc(-c6nc7cccnc7o6)cc5)cc4-c4ccc(-c5nc6cccnc6o5)cc4)cc3)nc2c1.c1cnc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7s6)cc5)c(-c5ccc(-c6nc7cccnc7s6)cc5)cc4-c4ccc(-c5nc6cccnc6s5)cc4)cc3)nc2c1
InChIInChI=1S/C78H50N12.C54H30N8O4.C54H30N8S4/c1-5-17-59(18-6-1)87-71(83-67-25-13-45-79-75(67)87)55-37-29-51(30-38-55)63-49-65(53-33-41-57(42-34-53)73-85-69-27-15-47-81-77(69)89(73)61-21-9-3-10-22-61)66(54-35-43-58(44-36-54)74-86-70-28-16-48-82-78(70)90(74)62-23-11-4-12-24-62)50-64(63)52-31-39-56(40-32-52)72-84-68-26-14-46-80-76(68)88(72)60-19-7-2-8-20-60;2*1-5-43-51(55-25-1)63-47(59-43)35-17-9-31(10-18-35)39-29-41(33-13-21-37(22-14-33)49-61-45-7-3-27-57-53(45)65-49)42(34-15-23-38(24-16-34)50-62-46-8-4-28-58-54(46)66-50)30-40(39)32-11-19-36(20-12-32)48-60-44-6-2-26-56-52(44)64-48/h1-50H;2*1-30H
InChIKeyFKDUEMICZATAAT-UHFFFAOYSA-N
MW2929.39 g/mol
LogP46.17
Rot. Bonds28

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

3-phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 158056862) has the molecular formula C186H110N28O4S4 and a molecular weight of 2929.39 g/mol. Its IUPAC name is 3-phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID158056862
Molecular FormulaC186H110N28O4S4
Molecular Weight2929.39 g/mol
Exact Mass2926.81
IUPAC Name3-phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1ccc(-n2c(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7n6-c6ccccc6)cc5)c(-c5ccc(-c6nc7cccnc7n6-c6ccccc6)cc5)cc4-c4ccc(-c5nc6cccnc6n5-c5ccccc5)cc4)cc3)nc3cccnc32)cc1.c1cnc2oc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7o6)cc5)c(-c5ccc(-c6nc7cccnc7o6)cc5)cc4-c4ccc(-c5nc6cccnc6o5)cc4)cc3)nc2c1.c1cnc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7s6)cc5)c(-c5ccc(-c6nc7cccnc7s6)cc5)cc4-c4ccc(-c5nc6cccnc6s5)cc4)cc3)nc2c1
InChIInChI=1S/C78H50N12.C54H30N8O4.C54H30N8S4/c1-5-17-59(18-6-1)87-71(83-67-25-13-45-79-75(67)87)55-37-29-51(30-38-55)63-49-65(53-33-41-57(42-34-53)73-85-69-27-15-47-81-77(69)89(73)61-21-9-3-10-22-61)66(54-35-43-58(44-36-54)74-86-70-28-16-48-82-78(70)90(74)62-23-11-4-12-24-62)50-64(63)52-31-39-56(40-32-52)72-84-68-26-14-46-80-76(68)88(72)60-19-7-2-8-20-60;2*1-5-43-51(55-25-1)63-47(59-43)35-17-9-31(10-18-35)39-29-41(33-13-21-37(22-14-33)49-61-45-7-3-27-57-53(45)65-49)42(34-15-23-38(24-16-34)50-62-46-8-4-28-58-54(46)66-50)30-40(39)32-11-19-36(20-12-32)48-60-44-6-2-26-56-52(44)64-48/h1-50H;2*1-30H
InChIKeyFKDUEMICZATAAT-UHFFFAOYSA-N
XLogP46.17
TPSA381.64 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms222
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002929.39
LogP ≤ 546.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 3-phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([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-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (CID 158056862) is 3-phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([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-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([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-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is c1ccc(-n2c(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7n6-c6ccccc6)cc5)c(-c5ccc(-c6nc7cccnc7n6-c6ccccc6)cc5)cc4-c4ccc(-c5nc6cccnc6n5-c5ccccc5)cc4)cc3)nc3cccnc32)cc1.c1cnc2oc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7o6)cc5)c(-c5ccc(-c6nc7cccnc7o6)cc5)cc4-c4ccc(-c5nc6cccnc6o5)cc4)cc3)nc2c1.c1cnc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7s6)cc5)c(-c5ccc(-c6nc7cccnc7s6)cc5)cc4-c4ccc(-c5nc6cccnc6s5)cc4)cc3)nc2c1.
What is the InChIKey of 3-phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is FKDUEMICZATAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N12.C54H30N8O4.C54H30N8S4/c1-5-17-59(18-6-1)87-71(83-67-25-13-45-79-75(67)87)55-37-29-51(30-38-55)63-49-65(53-33-41-57(42-34-53)73-85-69-27-15-47-81-77(69)89(73)61-21-9-3-10-22-61)66(54-35-43-58(44-36-54)74-86-70-28-16-48-82-78(70)90(74)62-23-11-4-12-24-62)50-64(63)52-31-39-56(40-32-52)72-84-68-26-14-46-80-76(68)88(72)60-19-7-2-8-20-60;2*1-5-43-51(55-25-1)63-47(59-43)35-17-9-31(10-18-35)39-29-41(33-13-21-37(22-14-33)49-61-45-7-3-27-57-53(45)65-49)42(34-15-23-38(24-16-34)50-62-46-8-4-28-58-54(46)66-50)30-40(39)32-11-19-36(20-12-32)48-60-44-6-2-26-56-52(44)64-48/h1-50H;2*1-30H.
What are the key properties of 3-phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
3-phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 2929.39 g/mol, XLogP of 46.17, 28 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 158056862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).