4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine

C38H28N2S2 — CID 162131959

IUPAC4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine
SMILESc1ccc(-c2ccc(-c3nccc4sccc34)cc2)cc1.c1ccc(-c2ccc(C3=NCCc4sccc43)cc2)cc1
InChIInChI=1S/C19H15NS.C19H13NS/c2*1-2-4-14(5-3-1)15-6-8-16(9-7-15)19-17-11-13-21-18(17)10-12-20-19/h1-9,11,13H,10,12H2;1-13H
InChIKeyZITWPFNEWAZLFR-UHFFFAOYSA-N
MW576.79 g/mol
LogP10.44
Rot. Bonds4

About 4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine

4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine (PubChem CID 162131959) has the molecular formula C38H28N2S2 and a molecular weight of 576.79 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine
PubChem CID162131959
Molecular FormulaC38H28N2S2
Molecular Weight576.79 g/mol
Exact Mass576.17
IUPAC Name4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine
SMILESc1ccc(-c2ccc(-c3nccc4sccc34)cc2)cc1.c1ccc(-c2ccc(C3=NCCc4sccc43)cc2)cc1
InChIInChI=1S/C19H15NS.C19H13NS/c2*1-2-4-14(5-3-1)15-6-8-16(9-7-15)19-17-11-13-21-18(17)10-12-20-19/h1-9,11,13H,10,12H2;1-13H
InChIKeyZITWPFNEWAZLFR-UHFFFAOYSA-N
XLogP10.44
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.79
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine with MolForge

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Related Compounds

4-(3-phenylphenyl)thieno[3,2-c]pyridine
CID 146304121
2-deuterio-4-phenylthieno[3,2-c]pyridine
CID 153314009
2,4-bis(4-tert-butylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;2,4-bis(4-tert-butylphenyl)thieno[3,2-c]pyridine;methane
CID 162173615
4-(3,5-dimethylphenyl)thieno[3,2-c]pyridine
CID 167260692
ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate
CID 162519622
(5-thieno[3,2-c]pyridin-4-yl-1,2-oxazol-3-yl)methanol
CID 178133817
4-phenyl-[1,3]thiazolo[4,5-c]pyridine
CID 140819940
thieno[3,2-c]pyridin-4-ylmethanamine
CID 82414810
4-phenyl-2,3-dihydrofuro[3,2-c]pyridine
CID 10535928
6-(4-phenylpyrimidin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 171678564
7-(4-cyclohexylphenyl)-1-phenylisoquinoline
CID 156674472
1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one
CID 171734652

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine?
The IUPAC name of 4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine (CID 162131959) is 4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine.
What is the SMILES notation for 4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine?
The canonical SMILES for 4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine is c1ccc(-c2ccc(-c3nccc4sccc34)cc2)cc1.c1ccc(-c2ccc(C3=NCCc4sccc43)cc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine?
The InChIKey is ZITWPFNEWAZLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NS.C19H13NS/c2*1-2-4-14(5-3-1)15-6-8-16(9-7-15)19-17-11-13-21-18(17)10-12-20-19/h1-9,11,13H,10,12H2;1-13H.
What are the key properties of 4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine?
4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine has a molecular weight of 576.79 g/mol, XLogP of 10.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-6,7-dihydrothieno[3,2-c]pyridine;4-(4-phenylphenyl)thieno[3,2-c]pyridine is sourced from PubChem (CID 162131959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).