carbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium)

C43H71Y2-3 — CID 157319795

IUPACcarbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.[CH2-]C.[CH2-]C.[CH3-].[Y].[Y].c1ccc(C(c2ccccc2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22.6C2H6.2C2H5.CH3.2Y/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24;8*1-2;;;/h1-20,25-26H;6*1-2H3;2*1H2,2H3;1H3;;/q;;;;;;;3*-1;;
InChIKeyKYBJTHGOJSEARZ-UHFFFAOYSA-N
MW765.85 g/mol
LogP14.93
Rot. Bonds5

About carbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium)

carbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium) (PubChem CID 157319795) has the molecular formula C43H71Y2-3 and a molecular weight of 765.85 g/mol. Its IUPAC name is carbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium).

Molecular Properties

Compound Namecarbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium)
PubChem CID157319795
Molecular FormulaC43H71Y2-3
Molecular Weight765.85 g/mol
Exact Mass765.37
IUPAC Namecarbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.[CH2-]C.[CH2-]C.[CH3-].[Y].[Y].c1ccc(C(c2ccccc2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22.6C2H6.2C2H5.CH3.2Y/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24;8*1-2;;;/h1-20,25-26H;6*1-2H3;2*1H2,2H3;1H3;;/q;;;;;;;3*-1;;
InChIKeyKYBJTHGOJSEARZ-UHFFFAOYSA-N
XLogP14.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.85
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium)?
The IUPAC name of carbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium) (CID 157319795) is carbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium).
What is the SMILES notation for carbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium)?
The canonical SMILES for carbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium) is CC.CC.CC.CC.CC.CC.[CH2-]C.[CH2-]C.[CH3-].[Y].[Y].c1ccc(C(c2ccccc2)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium)?
The InChIKey is KYBJTHGOJSEARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22.6C2H6.2C2H5.CH3.2Y/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24;8*1-2;;;/h1-20,25-26H;6*1-2H3;2*1H2,2H3;1H3;;/q;;;;;;;3*-1;;.
What are the key properties of carbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium)?
carbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium) has a molecular weight of 765.85 g/mol, XLogP of 14.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium) is sourced from PubChem (CID 157319795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).