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

C54H30N8S4 — CID 23391319

IUPAC2-[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
SMILESc1cnc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7s6)cc5)c(-c5ccc(-c6nc7cccnc7s6)cc5)cc4-c4ccc(-c5nc6cccnc6s5)cc4)cc3)nc2c1
InChIInChI=1S/C54H30N8S4/c1-5-43-51(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/h1-30H
InChIKeyXSYKOGHWYQOWJK-UHFFFAOYSA-N
MW919.16 g/mol
LogP15.04
Rot. Bonds8

About 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

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 23391319) has the molecular formula C54H30N8S4 and a molecular weight of 919.16 g/mol. Its IUPAC name is 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 Name2-[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 CID23391319
Molecular FormulaC54H30N8S4
Molecular Weight919.16 g/mol
Exact Mass918.15
IUPAC Name2-[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
SMILESc1cnc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7s6)cc5)c(-c5ccc(-c6nc7cccnc7s6)cc5)cc4-c4ccc(-c5nc6cccnc6s5)cc4)cc3)nc2c1
InChIInChI=1S/C54H30N8S4/c1-5-43-51(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/h1-30H
InChIKeyXSYKOGHWYQOWJK-UHFFFAOYSA-N
XLogP15.04
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.16
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 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 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 23391319) is 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 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 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 c1cnc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7s6)cc5)c(-c5ccc(-c6nc7cccnc7s6)cc5)cc4-c4ccc(-c5nc6cccnc6s5)cc4)cc3)nc2c1.
What is the InChIKey of 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 XSYKOGHWYQOWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30N8S4/c1-5-43-51(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/h1-30H.
What are the key properties of 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?
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 919.16 g/mol, XLogP of 15.04, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 23391319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).