4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine

C23H17NS — CID 19606083

IUPAC4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine
SMILESc1ccc(C2(Cc3ccncc3)c3ccccc3-c3sccc32)cc1
InChIInChI=1S/C23H17NS/c1-2-6-18(7-3-1)23(16-17-10-13-24-14-11-17)20-9-5-4-8-19(20)22-21(23)12-15-25-22/h1-15H,16H2
InChIKeyBSDJKVPBPPBSNO-UHFFFAOYSA-N
MW339.46 g/mol
LogP5.70
Rot. Bonds3

About 4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine

4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine (PubChem CID 19606083) has the molecular formula C23H17NS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine
PubChem CID19606083
Molecular FormulaC23H17NS
Molecular Weight339.46 g/mol
Exact Mass339.11
IUPAC Name4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine
SMILESc1ccc(C2(Cc3ccncc3)c3ccccc3-c3sccc32)cc1
InChIInChI=1S/C23H17NS/c1-2-6-18(7-3-1)23(16-17-10-13-24-14-11-17)20-9-5-4-8-19(20)22-21(23)12-15-25-22/h1-15H,16H2
InChIKeyBSDJKVPBPPBSNO-UHFFFAOYSA-N
XLogP5.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.46
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine?
The IUPAC name of 4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine (CID 19606083) is 4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine.
What is the SMILES notation for 4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine?
The canonical SMILES for 4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine is c1ccc(C2(Cc3ccncc3)c3ccccc3-c3sccc32)cc1.
What is the InChIKey of 4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine?
The InChIKey is BSDJKVPBPPBSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NS/c1-2-6-18(7-3-1)23(16-17-10-13-24-14-11-17)20-9-5-4-8-19(20)22-21(23)12-15-25-22/h1-15H,16H2.
What are the key properties of 4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine?
4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine has a molecular weight of 339.46 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylindeno[1,2-b]thiophen-4-yl)methyl]pyridine is sourced from PubChem (CID 19606083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).