4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine

C54H52F6N4OS2 — CID 169277741

IUPAC4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)(C)c1cc(Oc2cc(-c3nccc4nc(-c5ccc(CC(C)(C)C(F)(F)F)cc5)sc34)cc(C(C)(C)C)c2)cc(-c2nccc3nc(-c4ccc(CC(C)(C)C(F)(F)F)cc4)sc23)c1
InChIInChI=1S/C54H52F6N4OS2/c1-49(2,3)37-23-35(43-45-41(19-21-61-43)63-47(66-45)33-15-11-31(12-16-33)29-51(7,8)53(55,56)57)25-39(27-37)65-40-26-36(24-38(28-40)50(4,5)6)44-46-42(20-22-62-44)64-48(67-46)34-17-13-32(14-18-34)30-52(9,10)54(58,59)60/h11-28H,29-30H2,1-10H3
InChIKeyQXHUFEPPHLJGOA-UHFFFAOYSA-N
MW951.16 g/mol
LogP17.01
Rot. Bonds10

About 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine

4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 169277741) has the molecular formula C54H52F6N4OS2 and a molecular weight of 951.16 g/mol. Its IUPAC name is 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine
PubChem CID169277741
Molecular FormulaC54H52F6N4OS2
Molecular Weight951.16 g/mol
Exact Mass950.35
IUPAC Name4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)(C)c1cc(Oc2cc(-c3nccc4nc(-c5ccc(CC(C)(C)C(F)(F)F)cc5)sc34)cc(C(C)(C)C)c2)cc(-c2nccc3nc(-c4ccc(CC(C)(C)C(F)(F)F)cc4)sc23)c1
InChIInChI=1S/C54H52F6N4OS2/c1-49(2,3)37-23-35(43-45-41(19-21-61-43)63-47(66-45)33-15-11-31(12-16-33)29-51(7,8)53(55,56)57)25-39(27-37)65-40-26-36(24-38(28-40)50(4,5)6)44-46-42(20-22-62-44)64-48(67-46)34-17-13-32(14-18-34)30-52(9,10)54(58,59)60/h11-28H,29-30H2,1-10H3
InChIKeyQXHUFEPPHLJGOA-UHFFFAOYSA-N
XLogP17.01
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.16
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Related Compounds

4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+)
CID 169277740
7-(3,5-dimethylphenyl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine
CID 169301174
12-(2,6-dimethylphenyl)-14-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-13,15,19-triaza-12-borapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,14,16(20),17-nonaene
CID 164728013
7-(1,2-dimethyl-8-propan-2-ylthieno[2,3-b][1]benzothiol-6-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine
CID 170543760
7-(4-tert-butylnaphthalen-2-yl)-5-deuterio-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine
CID 164932068
1-[3-tert-butyl-5-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]oxyphenyl]isoquinoline
CID 153429141
7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
CID 170660650
1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 139245832
3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
CID 170660561
1-[3-(3-tert-butyl-5-isoquinolin-3-ylphenoxy)phenyl]isoquinoline
CID 153428960
2-(4-tert-butyl-2,6-dimethylphenyl)-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
CID 153444993
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;(Z)-5-hydroxy-2,2,6,6-tetramethyl-1,7-bis(trimethylsilyl)hept-4-en-3-one;iridium
CID 168731005

Frequently Asked Questions

What is the IUPAC name of 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine (CID 169277741) is 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine is CC(C)(C)c1cc(Oc2cc(-c3nccc4nc(-c5ccc(CC(C)(C)C(F)(F)F)cc5)sc34)cc(C(C)(C)C)c2)cc(-c2nccc3nc(-c4ccc(CC(C)(C)C(F)(F)F)cc4)sc23)c1.
What is the InChIKey of 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is QXHUFEPPHLJGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52F6N4OS2/c1-49(2,3)37-23-35(43-45-41(19-21-61-43)63-47(66-45)33-15-11-31(12-16-33)29-51(7,8)53(55,56)57)25-39(27-37)65-40-26-36(24-38(28-40)50(4,5)6)44-46-42(20-22-62-44)64-48(67-46)34-17-13-32(14-18-34)30-52(9,10)54(58,59)60/h11-28H,29-30H2,1-10H3.
What are the key properties of 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine?
4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 951.16 g/mol, XLogP of 17.01, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 169277741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).