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

C60H30N12S6 — CID 23391283

IUPAC2-[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
SMILESc1cnc2sc(-c3cc(-c4cc(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)cc(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)c4)cc(-c4nc5cccnc5s4)c3)nc2c1
InChIInChI=1S/C60H30N12S6/c1-7-43-55(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/h1-30H
InChIKeyBYHZMKMDLZVVNK-UHFFFAOYSA-N
MW1111.39 g/mol
LogP16.72
Rot. Bonds9

About 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]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 23391283) has the molecular formula C60H30N12S6 and a molecular weight of 1111.39 g/mol. Its IUPAC name is 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]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 CID23391283
Molecular FormulaC60H30N12S6
Molecular Weight1111.39 g/mol
Exact Mass1110.10
IUPAC Name2-[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
SMILESc1cnc2sc(-c3cc(-c4cc(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)cc(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)c4)cc(-c4nc5cccnc5s4)c3)nc2c1
InChIInChI=1S/C60H30N12S6/c1-7-43-55(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/h1-30H
InChIKeyBYHZMKMDLZVVNK-UHFFFAOYSA-N
XLogP16.72
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001111.39
LogP ≤ 516.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 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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Related Compounds

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2-[3-(9,9-dimethylacridin-10-yl)-5-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
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2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine
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2-([1,3]thiazolo[5,4-b]pyridin-2-yl)benzene-1,4-diol
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2-[4-[3,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[3,5-bis[4-([1,3]tellurazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]tellurazolo[5,4-b]pyridine;2-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
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N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 121024375
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CID 58480092
4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
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4-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 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]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 23391283) is 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]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]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 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]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 BYHZMKMDLZVVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H30N12S6/c1-7-43-55(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/h1-30H.
What are the key properties of 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]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 1111.39 g/mol, XLogP of 16.72, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 23391283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).