7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine

C46H41F6IN2OS2 — CID 167708062

IUPAC7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine
SMILESCOC=Cc1cc(CC(C)(C)C)ccc1-c1cc2c(C(F)(F)F)cnc(-c3cc(C)cc(C)c3)c2s1.Cc1cc(C)cc(-c2ncc(C(F)(F)F)c3cc(I)sc23)c1
InChIInChI=1S/C30H30F3NOS.C16H11F3INS/c1-18-11-19(2)13-22(12-18)27-28-24(25(17-34-27)30(31,32)33)15-26(36-28)23-8-7-20(16-29(3,4)5)14-21(23)9-10-35-6;1-8-3-9(2)5-10(4-8)14-15-11(6-13(20)22-15)12(7-21-14)16(17,18)19/h7-15,17H,16H2,1-6H3;3-7H,1-2H3
InChIKeyZKEUHNXIVHRMRN-UHFFFAOYSA-N
MW942.87 g/mol
LogP15.68
Rot. Bonds6

About 7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine

7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine (PubChem CID 167708062) has the molecular formula C46H41F6IN2OS2 and a molecular weight of 942.87 g/mol. Its IUPAC name is 7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine
PubChem CID167708062
Molecular FormulaC46H41F6IN2OS2
Molecular Weight942.87 g/mol
Exact Mass942.16
IUPAC Name7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine
SMILESCOC=Cc1cc(CC(C)(C)C)ccc1-c1cc2c(C(F)(F)F)cnc(-c3cc(C)cc(C)c3)c2s1.Cc1cc(C)cc(-c2ncc(C(F)(F)F)c3cc(I)sc23)c1
InChIInChI=1S/C30H30F3NOS.C16H11F3INS/c1-18-11-19(2)13-22(12-18)27-28-24(25(17-34-27)30(31,32)33)15-26(36-28)23-8-7-20(16-29(3,4)5)14-21(23)9-10-35-6;1-8-3-9(2)5-10(4-8)14-15-11(6-13(20)22-15)12(7-21-14)16(17,18)19/h7-15,17H,16H2,1-6H3;3-7H,1-2H3
InChIKeyZKEUHNXIVHRMRN-UHFFFAOYSA-N
XLogP15.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.87
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine with MolForge

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Related Compounds

2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
CID 164939786
7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-[(E)-2-methoxyethenyl]phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine
CID 164939834
2-[7-[8-tert-butyl-6-(2-iodo-3-methylthieno[2,3-c]pyridin-7-yl)naphthalen-2-yl]-6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl]-7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridine
CID 167208080
2-[3,5-Difluoro-2-(2-methoxyethenyl)phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
CID 167567701
7-(3,5-Dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;15-(3,5-dimethylphenyl)-5-(2,2-dimethylpropyl)-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 167609323
7-(3,5-Dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine
CID 167609324
7-(3,5-Dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;2-(4-fluorobenzene-6-id-1-yl)-4,5-bis(trideuteriomethyl)pyridine;iridium
CID 169301173
2-(4-Fluorobenzene-6-id-1-yl)-4,5-bis(trideuteriomethyl)pyridine;iridium;3-methyl-7-phenyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine
CID 169301228
7-(4-Tert-butylnaphthalen-2-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine
CID 170660609
7-(4-Tert-butylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-4-fluoro-3-methylthieno[2,3-c]pyridine
CID 176176288
7-[3-Tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine;platinum(2+)
CID 177073438
1-[4-(3-Methylpentan-3-yl)naphthalen-2-yl]-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine
CID 154599489

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine?
The IUPAC name of 7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine (CID 167708062) is 7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine.
What is the SMILES notation for 7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine?
The canonical SMILES for 7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine is COC=Cc1cc(CC(C)(C)C)ccc1-c1cc2c(C(F)(F)F)cnc(-c3cc(C)cc(C)c3)c2s1.Cc1cc(C)cc(-c2ncc(C(F)(F)F)c3cc(I)sc23)c1.
What is the InChIKey of 7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine?
The InChIKey is ZKEUHNXIVHRMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3NOS.C16H11F3INS/c1-18-11-19(2)13-22(12-18)27-28-24(25(17-34-27)30(31,32)33)15-26(36-28)23-8-7-20(16-29(3,4)5)14-21(23)9-10-35-6;1-8-3-9(2)5-10(4-8)14-15-11(6-13(20)22-15)12(7-21-14)16(17,18)19/h7-15,17H,16H2,1-6H3;3-7H,1-2H3.
What are the key properties of 7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine?
7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine has a molecular weight of 942.87 g/mol, XLogP of 15.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methoxyethenyl)phenyl]-4-(trifluoromethyl)thieno[2,3-c]pyridine;7-(3,5-dimethylphenyl)-2-iodo-4-(trifluoromethyl)thieno[2,3-c]pyridine is sourced from PubChem (CID 167708062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).