2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium

C20H17Y- — CID 148599359

IUPAC2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium
SMILESCc1ccc(-c2ccc(-c3cc[c-]cc3)c(C)c2)cc1.[Y]
InChIInChI=1S/C20H17.Y/c1-15-8-10-17(11-9-15)19-12-13-20(16(2)14-19)18-6-4-3-5-7-18;/h4-14H,1-2H3;/q-1;
InChIKeyPDMYZZIFPLHGGJ-UHFFFAOYSA-N
MW346.26 g/mol
LogP5.44
Rot. Bonds2

About 2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium

2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium (PubChem CID 148599359) has the molecular formula C20H17Y- and a molecular weight of 346.26 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium
PubChem CID148599359
Molecular FormulaC20H17Y-
Molecular Weight346.26 g/mol
Exact Mass346.04
IUPAC Name2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium
SMILESCc1ccc(-c2ccc(-c3cc[c-]cc3)c(C)c2)cc1.[Y]
InChIInChI=1S/C20H17.Y/c1-15-8-10-17(11-9-15)19-12-13-20(16(2)14-19)18-6-4-3-5-7-18;/h4-14H,1-2H3;/q-1;
InChIKeyPDMYZZIFPLHGGJ-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 55.44
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

5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine
CID 163545933
1,3-dimethyl-5-phenylbenzene;yttrium
CID 59217668
1,6-dimethylazulene
CID 10855725
1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene
CID 167027161
2-methyl-1-phenyl-4-(2-phenylphenyl)benzene
CID 59171665
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
methane;methylbenzene;yttrium
CID 160876865
ethane;methylbenzene;yttrium
CID 158556230
methane;methylbenzene;yttrium
CID 158936681
2-methyl-4-(4-methylphenyl)aniline
CID 23005184
1-(4-bromophenyl)-2,4-dimethylbenzene
CID 83659015
1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene
CID 58881209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium?
The IUPAC name of 2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium (CID 148599359) is 2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium.
What is the SMILES notation for 2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium?
The canonical SMILES for 2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium is Cc1ccc(-c2ccc(-c3cc[c-]cc3)c(C)c2)cc1.[Y].
What is the InChIKey of 2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium?
The InChIKey is PDMYZZIFPLHGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17.Y/c1-15-8-10-17(11-9-15)19-12-13-20(16(2)14-19)18-6-4-3-5-7-18;/h4-14H,1-2H3;/q-1;.
What are the key properties of 2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium?
2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium has a molecular weight of 346.26 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium is sourced from PubChem (CID 148599359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).