1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium)

C39H72Y4-6 — CID 159183097

IUPAC1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium)
SMILESC.C.C.C.C.C(=Cc1ccc(C=Cc2ccccc2)cc1)c1ccccc1.CC.CC.[CH2-]C.[CH2-]C.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y]
InChIInChI=1S/C22H18.2C2H6.2C2H5.5CH4.4CH3.4Y/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20;4*1-2;;;;;;;;;;;;;/h1-18H;2*1-2H3;2*1H2,2H3;5*1H4;4*1H3;;;;/q;;;2*-1;;;;;;4*-1;;;;
InChIKeyUYGXOJMGNYETQW-UHFFFAOYSA-N
MW896.63 g/mol
LogP14.73
Rot. Bonds4

About 1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium)

1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium) (PubChem CID 159183097) has the molecular formula C39H72Y4-6 and a molecular weight of 896.63 g/mol. Its IUPAC name is 1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium).

Molecular Properties

Compound Name1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium)
PubChem CID159183097
Molecular FormulaC39H72Y4-6
Molecular Weight896.63 g/mol
Exact Mass896.19
IUPAC Name1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium)
SMILESC.C.C.C.C.C(=Cc1ccc(C=Cc2ccccc2)cc1)c1ccccc1.CC.CC.[CH2-]C.[CH2-]C.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y]
InChIInChI=1S/C22H18.2C2H6.2C2H5.5CH4.4CH3.4Y/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20;4*1-2;;;;;;;;;;;;;/h1-18H;2*1-2H3;2*1H2,2H3;5*1H4;4*1H3;;;;/q;;;2*-1;;;;;;4*-1;;;;
InChIKeyUYGXOJMGNYETQW-UHFFFAOYSA-N
XLogP14.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.63
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium
CID 159447885
carbanide;ethane;prop-1-enylbenzene;yttrium
CID 162283709
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
CID 70567885
CID 70567885
CID 70569152
CID 70569152
N,N-dimethylmethanamine;stilbene
CID 174368184
disodium;hydride;(E)-stilbene
CID 173089328
hydride;rubidium(1+);stilbene
CID 173437843
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
4-(2-phenylethenyl)phenol
CID 157400568
acetic acid;stilbene
CID 172803728
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium)?
The IUPAC name of 1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium) (CID 159183097) is 1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium).
What is the SMILES notation for 1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium)?
The canonical SMILES for 1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium) is C.C.C.C.C.C(=Cc1ccc(C=Cc2ccccc2)cc1)c1ccccc1.CC.CC.[CH2-]C.[CH2-]C.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].
What is the InChIKey of 1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium)?
The InChIKey is UYGXOJMGNYETQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18.2C2H6.2C2H5.5CH4.4CH3.4Y/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20;4*1-2;;;;;;;;;;;;;/h1-18H;2*1-2H3;2*1H2,2H3;5*1H4;4*1H3;;;;/q;;;2*-1;;;;;;4*-1;;;;.
What are the key properties of 1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium)?
1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium) has a molecular weight of 896.63 g/mol, XLogP of 14.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium) is sourced from PubChem (CID 159183097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).