9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium)

C100H75N5Y5-10 — CID 158765949

IUPAC9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium)
SMILESCCn1c2[c-]c(-c3[c-]cccc3)ccc2c2ccccc21.CCn1c2c[c-]c(-c3[c-]cccc3)cc2c2ccccc21.CCn1c2ccc(-c3[c-]cccc3)[c-]c2c2ccccc21.CCn1c2ccccc2c2c[c-]c(-c3[c-]cccc3)cc21.CCn1c2ccccc2c2cc[c-]c(-c3[c-]cccc3)c21.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/5C20H15N.5Y/c1-2-21-19-14-7-6-11-17(19)18-13-8-12-16(20(18)21)15-9-4-3-5-10-15;2*1-2-21-19-11-7-6-10-17(19)18-14-16(12-13-20(18)21)15-8-4-3-5-9-15;2*1-2-21-19-11-7-6-10-17(19)18-13-12-16(14-20(18)21)15-8-4-3-5-9-15;;;;;/h3-9,11,13-14H,2H2,1H3;3-8,10-11,13-14H,2H2,1H3;3-8,10-13H,2H2,1H3;3-8,10-11,13-14H,2H2,1H3;3-8,10-13H,2H2,1H3;;;;;/q5*-2;;;;;
InChIKeyVEVFWKJENJFTPX-UHFFFAOYSA-N
MW1791.26 g/mol
LogP25.40
Rot. Bonds10

About 9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium)

9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium) (PubChem CID 158765949) has the molecular formula C100H75N5Y5-10 and a molecular weight of 1791.26 g/mol. Its IUPAC name is 9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium).

Molecular Properties

Compound Name9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium)
PubChem CID158765949
Molecular FormulaC100H75N5Y5-10
Molecular Weight1791.26 g/mol
Exact Mass1790.14
IUPAC Name9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium)
SMILESCCn1c2[c-]c(-c3[c-]cccc3)ccc2c2ccccc21.CCn1c2c[c-]c(-c3[c-]cccc3)cc2c2ccccc21.CCn1c2ccc(-c3[c-]cccc3)[c-]c2c2ccccc21.CCn1c2ccccc2c2c[c-]c(-c3[c-]cccc3)cc21.CCn1c2ccccc2c2cc[c-]c(-c3[c-]cccc3)c21.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/5C20H15N.5Y/c1-2-21-19-14-7-6-11-17(19)18-13-8-12-16(20(18)21)15-9-4-3-5-10-15;2*1-2-21-19-11-7-6-10-17(19)18-14-16(12-13-20(18)21)15-8-4-3-5-9-15;2*1-2-21-19-11-7-6-10-17(19)18-13-12-16(14-20(18)21)15-8-4-3-5-9-15;;;;;/h3-9,11,13-14H,2H2,1H3;3-8,10-11,13-14H,2H2,1H3;3-8,10-13H,2H2,1H3;3-8,10-11,13-14H,2H2,1H3;3-8,10-13H,2H2,1H3;;;;;/q5*-2;;;;;
InChIKeyVEVFWKJENJFTPX-UHFFFAOYSA-N
XLogP25.40
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms110
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001791.26
LogP ≤ 525.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium)?
The IUPAC name of 9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium) (CID 158765949) is 9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium).
What is the SMILES notation for 9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium)?
The canonical SMILES for 9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium) is CCn1c2[c-]c(-c3[c-]cccc3)ccc2c2ccccc21.CCn1c2c[c-]c(-c3[c-]cccc3)cc2c2ccccc21.CCn1c2ccc(-c3[c-]cccc3)[c-]c2c2ccccc21.CCn1c2ccccc2c2c[c-]c(-c3[c-]cccc3)cc21.CCn1c2ccccc2c2cc[c-]c(-c3[c-]cccc3)c21.[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium)?
The InChIKey is VEVFWKJENJFTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/5C20H15N.5Y/c1-2-21-19-14-7-6-11-17(19)18-13-8-12-16(20(18)21)15-9-4-3-5-10-15;2*1-2-21-19-11-7-6-10-17(19)18-14-16(12-13-20(18)21)15-8-4-3-5-9-15;2*1-2-21-19-11-7-6-10-17(19)18-13-12-16(14-20(18)21)15-8-4-3-5-9-15;;;;;/h3-9,11,13-14H,2H2,1H3;3-8,10-11,13-14H,2H2,1H3;3-8,10-13H,2H2,1H3;3-8,10-11,13-14H,2H2,1H3;3-8,10-13H,2H2,1H3;;;;;/q5*-2;;;;;.
What are the key properties of 9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium)?
9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium) has a molecular weight of 1791.26 g/mol, XLogP of 25.40, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium) is sourced from PubChem (CID 158765949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).