carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium

C38H52Y-2 — CID 159447885

IUPACcarbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium
SMILESC.C(=Cc1ccc(-c2ccc(C=Cc3ccccc3)cc2)cc1)c1ccccc1.CC.CC.CCC.[CH3-].[CH3-].[Y]
InChIInChI=1S/C28H22.C3H8.2C2H6.CH4.2CH3.Y/c1-3-7-23(8-4-1)11-13-25-15-19-27(20-16-25)28-21-17-26(18-22-28)14-12-24-9-5-2-6-10-24;1-3-2;2*1-2;;;;/h1-22H;3H2,1-2H3;2*1-2H3;1H4;2*1H3;/q;;;;;2*-1;
InChIKeyXYMPQDJEOOJEFF-UHFFFAOYSA-N
MW597.74 g/mol
LogP12.70
Rot. Bonds5

About carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium

carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium (PubChem CID 159447885) has the molecular formula C38H52Y-2 and a molecular weight of 597.74 g/mol. Its IUPAC name is carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium
PubChem CID159447885
Molecular FormulaC38H52Y-2
Molecular Weight597.74 g/mol
Exact Mass597.31
IUPAC Namecarbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium
SMILESC.C(=Cc1ccc(-c2ccc(C=Cc3ccccc3)cc2)cc1)c1ccccc1.CC.CC.CCC.[CH3-].[CH3-].[Y]
InChIInChI=1S/C28H22.C3H8.2C2H6.CH4.2CH3.Y/c1-3-7-23(8-4-1)11-13-25-15-19-27(20-16-25)28-21-17-26(18-22-28)14-12-24-9-5-2-6-10-24;1-3-2;2*1-2;;;;/h1-22H;3H2,1-2H3;2*1-2H3;1H4;2*1H3;/q;;;;;2*-1;
InChIKeyXYMPQDJEOOJEFF-UHFFFAOYSA-N
XLogP12.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.74
LogP ≤ 512.70
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

1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium)
CID 159183097
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165
tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane
CID 59742138
carbanide;ethane;prop-1-enylbenzene;yttrium
CID 162283709
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
CID 70569152
CID 70569152
CID 70567885
CID 70567885
1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
N,N-diphenyl-4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline;N,N-diphenyl-4-[4-[2-(4-phenylphenyl)ethenyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]buta-1,3-dienyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(2-phenylethenyl)phenyl]phenyl]aniline
CID 160612024

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium?
The IUPAC name of carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium (CID 159447885) is carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium.
What is the SMILES notation for carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium?
The canonical SMILES for carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium is C.C(=Cc1ccc(-c2ccc(C=Cc3ccccc3)cc2)cc1)c1ccccc1.CC.CC.CCC.[CH3-].[CH3-].[Y].
What is the InChIKey of carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium?
The InChIKey is XYMPQDJEOOJEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22.C3H8.2C2H6.CH4.2CH3.Y/c1-3-7-23(8-4-1)11-13-25-15-19-27(20-16-25)28-21-17-26(18-22-28)14-12-24-9-5-2-6-10-24;1-3-2;2*1-2;;;;/h1-22H;3H2,1-2H3;2*1-2H3;1H4;2*1H3;/q;;;;;2*-1;.
What are the key properties of carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium?
carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium has a molecular weight of 597.74 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;methane;1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenyl]benzene;propane;yttrium is sourced from PubChem (CID 159447885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).