4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine

C40H28N4O2S2 — CID 159582804

IUPAC4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine
SMILESN#Cc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H16N2OS.C20H12N2OS/c2*21-11-17-10-18-19(12-22-13-20(18)24-17)23-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H,11,21H2;1-10,12-13H
InChIKeyMJFPPKIARBLVJP-UHFFFAOYSA-N
MW660.82 g/mol
LogP10.84
Rot. Bonds7

About 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine

4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine (PubChem CID 159582804) has the molecular formula C40H28N4O2S2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine.

Molecular Properties

Compound Name4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine
PubChem CID159582804
Molecular FormulaC40H28N4O2S2
Molecular Weight660.82 g/mol
Exact Mass660.17
IUPAC Name4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine
SMILESN#Cc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H16N2OS.C20H12N2OS/c2*21-11-17-10-18-19(12-22-13-20(18)24-17)23-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H,11,21H2;1-10,12-13H
InChIKeyMJFPPKIARBLVJP-UHFFFAOYSA-N
XLogP10.84
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 510.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-1H-1,2,3,4-tetrazole
CID 25218754
4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzonitrile
CID 44580757
2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide
CID 58622546
4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine;2,2,2-trifluoro-N-[[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methyl]acetamide
CID 158170068
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
4-(Biphenyl-4-yloxy)-thieno[2,3-c]pyridine
CID 58622481
4-(Biphenyl-4-yloxy)-thieno[2,3-c]pyridin-2-ylamine
CID 58622516
4-(Biphenyl-4-yloxy)-thieno[2,3-c]pyridine-2-carbonitrile
CID 58622551
C-[4-(biphenyl-4-yloxy)-thieno[2,3-c]pyridine-2-yl]-methylamine
CID 58622559
4-(4-Phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide
CID 58622591
4-(Biphenyl-4-yloxy)-2-phenyl-thieno[2,3-c]pyridine
CID 58622644
4-(3'-Cyano-biphenyl-4-yloxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 58622652

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine?
The IUPAC name of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine (CID 159582804) is 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine.
What is the SMILES notation for 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine?
The canonical SMILES for 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine is N#Cc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.NCc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.
What is the InChIKey of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine?
The InChIKey is MJFPPKIARBLVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS.C20H12N2OS/c2*21-11-17-10-18-19(12-22-13-20(18)24-17)23-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H,11,21H2;1-10,12-13H.
What are the key properties of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine?
4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine has a molecular weight of 660.82 g/mol, XLogP of 10.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile;[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]methanamine is sourced from PubChem (CID 159582804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).