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

C120H60N24O6S6 — CID 158060689

IUPAC2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1cnc2oc(-c3cc(-c4cc(-c5cc(-c6nc7cccnc7o6)cc(-c6nc7cccnc7o6)c5)cc(-c5cc(-c6nc7cccnc7o6)cc(-c6nc7cccnc7o6)c5)c4)cc(-c4nc5cccnc5o4)c3)nc2c1.c1cnc2sc(-c3cc(-c4cc(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)cc(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)c4)cc(-c4nc5cccnc5s4)c3)nc2c1
InChIInChI=1S/C60H30N12O6.C60H30N12S6/c2*1-7-43-55(61-13-1)73-49(67-43)37-22-34(23-38(28-37)50-68-44-8-2-14-62-56(44)74-50)31-19-32(35-24-39(51-69-45-9-3-15-63-57(45)75-51)29-40(25-35)52-70-46-10-4-16-64-58(46)76-52)21-33(20-31)36-26-41(53-71-47-11-5-17-65-59(47)77-53)30-42(27-36)54-72-48-12-6-18-66-60(48)78-54/h2*1-30H
InChIKeyFKPGMVWKTDWZTF-UHFFFAOYSA-N
MW2126.36 g/mol
LogP30.62
Rot. Bonds18

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

2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 158060689) has the molecular formula C120H60N24O6S6 and a molecular weight of 2126.36 g/mol. Its IUPAC name is 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID158060689
Molecular FormulaC120H60N24O6S6
Molecular Weight2126.36 g/mol
Exact Mass2124.35
IUPAC Name2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1cnc2oc(-c3cc(-c4cc(-c5cc(-c6nc7cccnc7o6)cc(-c6nc7cccnc7o6)c5)cc(-c5cc(-c6nc7cccnc7o6)cc(-c6nc7cccnc7o6)c5)c4)cc(-c4nc5cccnc5o4)c3)nc2c1.c1cnc2sc(-c3cc(-c4cc(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)cc(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)c4)cc(-c4nc5cccnc5s4)c3)nc2c1
InChIInChI=1S/C60H30N12O6.C60H30N12S6/c2*1-7-43-55(61-13-1)73-49(67-43)37-22-34(23-38(28-37)50-68-44-8-2-14-62-56(44)74-50)31-19-32(35-24-39(51-69-45-9-3-15-63-57(45)75-51)29-40(25-35)52-70-46-10-4-16-64-58(46)76-52)21-33(20-31)36-26-41(53-71-47-11-5-17-65-59(47)77-53)30-42(27-36)54-72-48-12-6-18-66-60(48)78-54/h2*1-30H
InChIKeyFKPGMVWKTDWZTF-UHFFFAOYSA-N
XLogP30.62
TPSA388.20 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds18
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002126.36
LogP ≤ 530.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine (CID 158060689) is 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine is c1cnc2oc(-c3cc(-c4cc(-c5cc(-c6nc7cccnc7o6)cc(-c6nc7cccnc7o6)c5)cc(-c5cc(-c6nc7cccnc7o6)cc(-c6nc7cccnc7o6)c5)c4)cc(-c4nc5cccnc5o4)c3)nc2c1.c1cnc2sc(-c3cc(-c4cc(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)cc(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)c4)cc(-c4nc5cccnc5s4)c3)nc2c1.
What is the InChIKey of 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is FKPGMVWKTDWZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H30N12O6.C60H30N12S6/c2*1-7-43-55(61-13-1)73-49(67-43)37-22-34(23-38(28-37)50-68-44-8-2-14-62-56(44)74-50)31-19-32(35-24-39(51-69-45-9-3-15-63-57(45)75-51)29-40(25-35)52-70-46-10-4-16-64-58(46)76-52)21-33(20-31)36-26-41(53-71-47-11-5-17-65-59(47)77-53)30-42(27-36)54-72-48-12-6-18-66-60(48)78-54/h2*1-30H.
What are the key properties of 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 2126.36 g/mol, XLogP of 30.62, 18 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 158060689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).