7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine

C56H54F6N2OS2 — CID 177073439

IUPAC7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine
SMILESCC(C)(C)c1ccc(-c2cc3c(C(F)(F)F)cnc(-c4cc(Oc5cc(-c6ncc(C(F)(F)F)c7cc(-c8ccc(C(C)(C)C)cc8)sc67)cc(C(C)(C)C)c5)cc(C(C)(C)C)c4)c3s2)cc1
InChIInChI=1S/C56H54F6N2OS2/c1-51(2,3)35-17-13-31(14-18-35)45-27-41-43(55(57,58)59)29-63-47(49(41)66-45)33-21-37(53(7,8)9)25-39(23-33)65-40-24-34(22-38(26-40)54(10,11)12)48-50-42(44(30-64-48)56(60,61)62)28-46(67-50)32-15-19-36(20-16-32)52(4,5)6/h13-30H,1-12H3
InChIKeyJKSDODNDWDCEHD-UHFFFAOYSA-N
MW949.18 g/mol
LogP18.59
Rot. Bonds6

About 7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine

7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine (PubChem CID 177073439) has the molecular formula C56H54F6N2OS2 and a molecular weight of 949.18 g/mol. Its IUPAC name is 7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine
PubChem CID177073439
Molecular FormulaC56H54F6N2OS2
Molecular Weight949.18 g/mol
Exact Mass948.36
IUPAC Name7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine
SMILESCC(C)(C)c1ccc(-c2cc3c(C(F)(F)F)cnc(-c4cc(Oc5cc(-c6ncc(C(F)(F)F)c7cc(-c8ccc(C(C)(C)C)cc8)sc67)cc(C(C)(C)C)c5)cc(C(C)(C)C)c4)c3s2)cc1
InChIInChI=1S/C56H54F6N2OS2/c1-51(2,3)35-17-13-31(14-18-35)45-27-41-43(55(57,58)59)29-63-47(49(41)66-45)33-21-37(53(7,8)9)25-39(23-33)65-40-24-34(22-38(26-40)54(10,11)12)48-50-42(44(30-64-48)56(60,61)62)28-46(67-50)32-15-19-36(20-16-32)52(4,5)6/h13-30H,1-12H3
InChIKeyJKSDODNDWDCEHD-UHFFFAOYSA-N
XLogP18.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.18
LogP ≤ 518.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine with MolForge

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Related Compounds

2-[4-[4-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-6-(5-methyl-2-pyridinyl)-1,3-benzothiazole
CID 146335535
1-Tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane
CID 157167380
1-Tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;1-tert-butyl-3-ethoxybenzene;2-tert-butyl-4-ethoxypyridine;2-tert-butyl-4-methylpyridine;bis(1-tert-butyl-3-propan-2-ylbenzene);1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;1-ethyl-3-propan-2-ylbenzene;methane
CID 158563667
4-(4-Iodophenoxy)thieno[2,3-c]pyridine;[4-(trifluoromethyl)phenyl]boronic acid;4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine
CID 159386687
1-Tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;1-tert-butyl-3-ethoxybenzene;2-tert-butyl-4-ethoxypyridine;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-(1,1-difluoroethoxy)-3-propan-2-ylbenzene;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;methane
CID 160030921
1,3-Difluoro-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;1-methyl-4-phenylbenzene;1-(4-methylphenyl)piperazine;2-(4-methylphenyl)thieno[3,2-c]pyridine;1-methyl-3-(trifluoromethoxy)benzene;1,3-xylene;1,4-xylene
CID 161108579
1-Tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane
CID 161955596
3,14,18,19-Tetramethyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-11-oxa-8-thia-3-azoniapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(19),2,4,6,9,12,14,16(20),17-nonaene
CID 166053451
15-[3-(3-Pyridin-2-ylphenoxy)phenyl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 164939697
12-Fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 164939774
1-(1,1,2,2-Tetramethylbenzo[e][1]benzofuran-4-yl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine
CID 165167915
3-Methyl-7-(1,1,2,2-tetramethylbenzo[e][1]benzofuran-4-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine
CID 165167941

Frequently Asked Questions

What is the IUPAC name of 7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine?
The IUPAC name of 7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine (CID 177073439) is 7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine.
What is the SMILES notation for 7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine?
The canonical SMILES for 7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine is CC(C)(C)c1ccc(-c2cc3c(C(F)(F)F)cnc(-c4cc(Oc5cc(-c6ncc(C(F)(F)F)c7cc(-c8ccc(C(C)(C)C)cc8)sc67)cc(C(C)(C)C)c5)cc(C(C)(C)C)c4)c3s2)cc1.
What is the InChIKey of 7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine?
The InChIKey is JKSDODNDWDCEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H54F6N2OS2/c1-51(2,3)35-17-13-31(14-18-35)45-27-41-43(55(57,58)59)29-63-47(49(41)66-45)33-21-37(53(7,8)9)25-39(23-33)65-40-24-34(22-38(26-40)54(10,11)12)48-50-42(44(30-64-48)56(60,61)62)28-46(67-50)32-15-19-36(20-16-32)52(4,5)6/h13-30H,1-12H3.
What are the key properties of 7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine?
7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine has a molecular weight of 949.18 g/mol, XLogP of 18.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine is sourced from PubChem (CID 177073439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).