1,3-dimethyl-5-phenylbenzene;bis(yttrium)

C14H12Y2-2 — CID 59217667

IUPAC1,3-dimethyl-5-phenylbenzene;bis(yttrium)
SMILESCc1cc(C)cc(-c2c[c-]c[c-]c2)c1.[Y].[Y]
InChIInChI=1S/C14H12.2Y/c1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;;/h3,6-10H,1-2H3;;/q-2;;
InChIKeyAAGLOSVSPTUYNU-UHFFFAOYSA-N
MW358.06 g/mol
LogP3.57
Rot. Bonds1

About 1,3-dimethyl-5-phenylbenzene;bis(yttrium)

1,3-dimethyl-5-phenylbenzene;bis(yttrium) (PubChem CID 59217667) has the molecular formula C14H12Y2-2 and a molecular weight of 358.06 g/mol. Its IUPAC name is 1,3-dimethyl-5-phenylbenzene;bis(yttrium).

Molecular Properties

Compound Name1,3-dimethyl-5-phenylbenzene;bis(yttrium)
PubChem CID59217667
Molecular FormulaC14H12Y2-2
Molecular Weight358.06 g/mol
Exact Mass357.91
IUPAC Name1,3-dimethyl-5-phenylbenzene;bis(yttrium)
SMILESCc1cc(C)cc(-c2c[c-]c[c-]c2)c1.[Y].[Y]
InChIInChI=1S/C14H12.2Y/c1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;;/h3,6-10H,1-2H3;;/q-2;;
InChIKeyAAGLOSVSPTUYNU-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.06
LogP ≤ 53.57
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

1,3-dimethyl-5-phenylbenzene;yttrium
CID 59217668
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382
4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten
CID 147577515
4-(3,5-dimethylphenyl)-1,2-dimethylbenzene-6-ide;tungsten(2+)
CID 21015211
1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene
CID 171448664
2-(3,5-dimethylphenyl)-1,3,4,5-tetramethylbenzene
CID 171799163
1,3-dimethylbenzene-5-ide;rutherfordium
CID 59305830
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
CID 171375446
CID 171375446
ethane;1,3,5-trimethylbenzene
CID 91530079
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-phenylbenzene;bis(yttrium)?
The IUPAC name of 1,3-dimethyl-5-phenylbenzene;bis(yttrium) (CID 59217667) is 1,3-dimethyl-5-phenylbenzene;bis(yttrium).
What is the SMILES notation for 1,3-dimethyl-5-phenylbenzene;bis(yttrium)?
The canonical SMILES for 1,3-dimethyl-5-phenylbenzene;bis(yttrium) is Cc1cc(C)cc(-c2c[c-]c[c-]c2)c1.[Y].[Y].
What is the InChIKey of 1,3-dimethyl-5-phenylbenzene;bis(yttrium)?
The InChIKey is AAGLOSVSPTUYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.2Y/c1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;;/h3,6-10H,1-2H3;;/q-2;;.
What are the key properties of 1,3-dimethyl-5-phenylbenzene;bis(yttrium)?
1,3-dimethyl-5-phenylbenzene;bis(yttrium) has a molecular weight of 358.06 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-phenylbenzene;bis(yttrium) is sourced from PubChem (CID 59217667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).