ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium)

C24H25NY3-4 — CID 159763189

IUPACethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium)
SMILESCC.CC.CCn1c2c[c-]c(-c3[c-]ccc[c-]3)[c-]c2c2ccccc21.[Y].[Y].[Y]
InChIInChI=1S/C20H13N.2C2H6.3Y/c1-2-21-19-11-7-6-10-17(19)18-14-16(12-13-20(18)21)15-8-4-3-5-9-15;2*1-2;;;/h3-7,10-11,13H,2H2,1H3;2*1-2H3;;;/q-4;;;;;
InChIKeyWXFIZQUBWCGLAG-UHFFFAOYSA-N
MW594.19 g/mol
LogP6.73
Rot. Bonds2

About ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium)

ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium) (PubChem CID 159763189) has the molecular formula C24H25NY3-4 and a molecular weight of 594.19 g/mol. Its IUPAC name is ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium).

Molecular Properties

Compound Nameethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium)
PubChem CID159763189
Molecular FormulaC24H25NY3-4
Molecular Weight594.19 g/mol
Exact Mass593.92
IUPAC Nameethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium)
SMILESCC.CC.CCn1c2c[c-]c(-c3[c-]ccc[c-]3)[c-]c2c2ccccc21.[Y].[Y].[Y]
InChIInChI=1S/C20H13N.2C2H6.3Y/c1-2-21-19-11-7-6-10-17(19)18-14-16(12-13-20(18)21)15-8-4-3-5-9-15;2*1-2;;;/h3-7,10-11,13H,2H2,1H3;2*1-2H3;;;/q-4;;;;;
InChIKeyWXFIZQUBWCGLAG-UHFFFAOYSA-N
XLogP6.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.19
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium)?
The IUPAC name of ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium) (CID 159763189) is ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium).
What is the SMILES notation for ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium)?
The canonical SMILES for ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium) is CC.CC.CCn1c2c[c-]c(-c3[c-]ccc[c-]3)[c-]c2c2ccccc21.[Y].[Y].[Y].
What is the InChIKey of ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium)?
The InChIKey is WXFIZQUBWCGLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N.2C2H6.3Y/c1-2-21-19-11-7-6-10-17(19)18-14-16(12-13-20(18)21)15-8-4-3-5-9-15;2*1-2;;;/h3-7,10-11,13H,2H2,1H3;2*1-2H3;;;/q-4;;;;;.
What are the key properties of ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium)?
ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium) has a molecular weight of 594.19 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium) is sourced from PubChem (CID 159763189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).