2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane

C28H25NOS — CID 143138162

IUPAC2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane
SMILESCCC.c1ccc(-c2ccc(Oc3cncc4sc(-c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C25H17NOS.C3H8/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)27-23-16-26-17-25-22(23)15-24(28-25)20-9-5-2-6-10-20;1-3-2/h1-17H;3H2,1-2H3
InChIKeyVDGITQHZWIKFAQ-UHFFFAOYSA-N
MW423.58 g/mol
LogP8.84
Rot. Bonds4

About 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane

2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane (PubChem CID 143138162) has the molecular formula C28H25NOS and a molecular weight of 423.58 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane
PubChem CID143138162
Molecular FormulaC28H25NOS
Molecular Weight423.58 g/mol
Exact Mass423.17
IUPAC Name2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane
SMILESCCC.c1ccc(-c2ccc(Oc3cncc4sc(-c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C25H17NOS.C3H8/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)27-23-16-26-17-25-22(23)15-24(28-25)20-9-5-2-6-10-20;1-3-2/h1-17H;3H2,1-2H3
InChIKeyVDGITQHZWIKFAQ-UHFFFAOYSA-N
XLogP8.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287346
Thieno[2,3-c]pyridine-2-carboxylic acid,4-([1,1'-biphenyl]-4-yloxy)-
CID 25218753
5-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-1H-1,2,3,4-tetrazole
CID 25218754
4-(4-Isopropyl-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9922793
4-(4-Ethyl-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9944101
4-(Biphenyl-4-yloxy)-thieno[2,3-c]pyridine-2-carboxylic acid methylamide
CID 9946991
4-(4-tert-Butyl-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9967126
4-(4-Octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide
CID 10221525
6-fluoro-2-[(5-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137636260
2-Methoxy-5-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]pyridine
CID 44202207
4-[4-(4-fluorophenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
CID 44580058
4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
CID 44580717

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane?
The IUPAC name of 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane (CID 143138162) is 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane?
The canonical SMILES for 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane is CCC.c1ccc(-c2ccc(Oc3cncc4sc(-c5ccccc5)cc34)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane?
The InChIKey is VDGITQHZWIKFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NOS.C3H8/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)27-23-16-26-17-25-22(23)15-24(28-25)20-9-5-2-6-10-20;1-3-2/h1-17H;3H2,1-2H3.
What are the key properties of 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane?
2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane has a molecular weight of 423.58 g/mol, XLogP of 8.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenoxy)thieno[2,3-c]pyridine;propane is sourced from PubChem (CID 143138162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).