methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium

C30H34Y-2 — CID 161347564

IUPACmethane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium
SMILESC.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1ccc(Cc2cccc(C)c2)cc1.[Y]
InChIInChI=1S/C15H16.2C7H7.CH4.Y/c1-12-6-8-14(9-7-12)11-15-5-3-4-13(2)10-15;2*1-7-5-3-2-4-6-7;;/h3-10H,11H2,1-2H3;2*3-6H,1H3;1H4;/q;2*-1;;
InChIKeySTKFBGCBTRDTET-UHFFFAOYSA-N
MW483.51 g/mol
LogP8.12
Rot. Bonds2

About methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium

methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium (PubChem CID 161347564) has the molecular formula C30H34Y-2 and a molecular weight of 483.51 g/mol. Its IUPAC name is methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium.

Molecular Properties

Compound Namemethane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium
PubChem CID161347564
Molecular FormulaC30H34Y-2
Molecular Weight483.51 g/mol
Exact Mass483.17
IUPAC Namemethane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium
SMILESC.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1ccc(Cc2cccc(C)c2)cc1.[Y]
InChIInChI=1S/C15H16.2C7H7.CH4.Y/c1-12-6-8-14(9-7-12)11-15-5-3-4-13(2)10-15;2*1-7-5-3-2-4-6-7;;/h3-10H,11H2,1-2H3;2*3-6H,1H3;1H4;/q;2*-1;;
InChIKeySTKFBGCBTRDTET-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.51
LogP ≤ 58.12
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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Related Compounds

1-ethyl-3-(phenylmethyl)benzene;methylbenzene;yttrium
CID 59010786
1-bromo-4-[(3-methylphenyl)methyl]benzene
CID 67156138
1-benzyl-4-methylbenzene;toluene
CID 144690555
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
methane;methylbenzene;yttrium
CID 160876865
methane;methylbenzene;yttrium
CID 158936681
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
CID 142401875
1-iodo-3-[(3-methylphenyl)methyl]benzene
CID 155312038
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene
CID 158520206
ethane;methylbenzene;yttrium
CID 158556230

Frequently Asked Questions

What is the IUPAC name of methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium?
The IUPAC name of methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium (CID 161347564) is methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium.
What is the SMILES notation for methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium?
The canonical SMILES for methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium is C.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1ccc(Cc2cccc(C)c2)cc1.[Y].
What is the InChIKey of methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium?
The InChIKey is STKFBGCBTRDTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.2C7H7.CH4.Y/c1-12-6-8-14(9-7-12)11-15-5-3-4-13(2)10-15;2*1-7-5-3-2-4-6-7;;/h3-10H,11H2,1-2H3;2*3-6H,1H3;1H4;/q;2*-1;;.
What are the key properties of methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium?
methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium has a molecular weight of 483.51 g/mol, XLogP of 8.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium is sourced from PubChem (CID 161347564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).