carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium)

C80H122N6S4Y4-4 — CID 159386149

IUPACcarbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.C[C@@H](c1ccccc1)N1CCc2sccc2C1.C[C@H](c1ccccc1)N1CCc2sccc2C1.N#C[C@@H](c1ccccc1)N1CCc2sccc2C1.N#C[C@H](c1ccccc1)N1CCc2sccc2C1.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y]
InChIInChI=1S/2C15H14N2S.2C15H17NS.8C2H6.4CH3.4Y/c2*16-10-14(12-4-2-1-3-5-12)17-8-6-15-13(11-17)7-9-18-15;2*1-12(13-5-3-2-4-6-13)16-9-7-15-14(11-16)8-10-17-15;8*1-2;;;;;;;;/h2*1-5,7,9,14H,6,8,11H2;2*2-6,8,10,12H,7,9,11H2,1H3;8*1-2H3;4*1H3;;;;/q;;;;;;;;;;;;4*-1;;;;/t2*14-;2*12-;;;;;;;;;;;;;;;;/m1010................/s1
InChIKeyLSYWNWZMLYISPZ-BYTNTWHUSA-N
MW1651.79 g/mol
LogP24.48
Rot. Bonds8

About carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium)

carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium) (PubChem CID 159386149) has the molecular formula C80H122N6S4Y4-4 and a molecular weight of 1651.79 g/mol. Its IUPAC name is carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium).

Molecular Properties

Compound Namecarbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium)
PubChem CID159386149
Molecular FormulaC80H122N6S4Y4-4
Molecular Weight1651.79 g/mol
Exact Mass1650.49
IUPAC Namecarbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.C[C@@H](c1ccccc1)N1CCc2sccc2C1.C[C@H](c1ccccc1)N1CCc2sccc2C1.N#C[C@@H](c1ccccc1)N1CCc2sccc2C1.N#C[C@H](c1ccccc1)N1CCc2sccc2C1.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y]
InChIInChI=1S/2C15H14N2S.2C15H17NS.8C2H6.4CH3.4Y/c2*16-10-14(12-4-2-1-3-5-12)17-8-6-15-13(11-17)7-9-18-15;2*1-12(13-5-3-2-4-6-13)16-9-7-15-14(11-16)8-10-17-15;8*1-2;;;;;;;;/h2*1-5,7,9,14H,6,8,11H2;2*2-6,8,10,12H,7,9,11H2,1H3;8*1-2H3;4*1H3;;;;/q;;;;;;;;;;;;4*-1;;;;/t2*14-;2*12-;;;;;;;;;;;;;;;;/m1010................/s1
InChIKeyLSYWNWZMLYISPZ-BYTNTWHUSA-N
XLogP24.48
TPSA60.54 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms94
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001651.79
LogP ≤ 524.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium)?
The IUPAC name of carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium) (CID 159386149) is carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium).
What is the SMILES notation for carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium)?
The canonical SMILES for carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.C[C@@H](c1ccccc1)N1CCc2sccc2C1.C[C@H](c1ccccc1)N1CCc2sccc2C1.N#C[C@@H](c1ccccc1)N1CCc2sccc2C1.N#C[C@H](c1ccccc1)N1CCc2sccc2C1.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].
What is the InChIKey of carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium)?
The InChIKey is LSYWNWZMLYISPZ-BYTNTWHUSA-N. The full InChI is InChI=1S/2C15H14N2S.2C15H17NS.8C2H6.4CH3.4Y/c2*16-10-14(12-4-2-1-3-5-12)17-8-6-15-13(11-17)7-9-18-15;2*1-12(13-5-3-2-4-6-13)16-9-7-15-14(11-16)8-10-17-15;8*1-2;;;;;;;;/h2*1-5,7,9,14H,6,8,11H2;2*2-6,8,10,12H,7,9,11H2,1H3;8*1-2H3;4*1H3;;;;/q;;;;;;;;;;;;4*-1;;;;/t2*14-;2*12-;;;;;;;;;;;;;;;;/m1010................/s1.
What are the key properties of carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium)?
carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium) has a molecular weight of 1651.79 g/mol, XLogP of 24.48, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium) is sourced from PubChem (CID 159386149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).