ethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium)

C157H238N10Y5-10 — CID 158215342

IUPACethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium)
SMILESC.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.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]
InChIInChI=1S/5C20H15N.5C5H13N.15C2H6.2CH4.5Y/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;5*1-4-6(3)5-2;15*1-2;;;;;;;/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;5*4-5H2,1-3H3;15*1-2H3;2*1H4;;;;;/q5*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyQTUXGFYXUINFCN-UHFFFAOYSA-N
MW2710.23 g/mol
LogP46.85
Rot. Bonds20

About ethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium)

ethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium) (PubChem CID 158215342) has the molecular formula C157H238N10Y5-10 and a molecular weight of 2710.23 g/mol. Its IUPAC name is ethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium).

Molecular Properties

Compound Nameethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium)
PubChem CID158215342
Molecular FormulaC157H238N10Y5-10
Molecular Weight2710.23 g/mol
Exact Mass2708.43
IUPAC Nameethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium)
SMILESC.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.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]
InChIInChI=1S/5C20H15N.5C5H13N.15C2H6.2CH4.5Y/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;5*1-4-6(3)5-2;15*1-2;;;;;;;/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;5*4-5H2,1-3H3;15*1-2H3;2*1H4;;;;;/q5*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyQTUXGFYXUINFCN-UHFFFAOYSA-N
XLogP46.85
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms172
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002710.23
LogP ≤ 546.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze ethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium)?
The IUPAC name of ethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium) (CID 158215342) is ethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium).
What is the SMILES notation for ethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium)?
The canonical SMILES for ethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium) is C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.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 ethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium)?
The InChIKey is QTUXGFYXUINFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/5C20H15N.5C5H13N.15C2H6.2CH4.5Y/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;5*1-4-6(3)5-2;15*1-2;;;;;;;/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;5*4-5H2,1-3H3;15*1-2H3;2*1H4;;;;;/q5*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of ethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium)?
ethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium) has a molecular weight of 2710.23 g/mol, XLogP of 46.85, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentakis(N-ethyl-N-methylethanamine);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;methane;pentakis(yttrium) is sourced from PubChem (CID 158215342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).