2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium)

C143H189NY2-4 — CID 160997034

IUPAC2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2ccccc2c(C)c2ccccc12.Cc1c[c-]c(-c2[c-]cc(C)cc2)cc1.Cc1c[c-]c(-c2[c-]ccc(C)c2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.[Y].[Y]
InChIInChI=1S/2C16H14.2C14H12.3C12H12.2C8H10.C7H9N.12C2H6.2Y/c1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)8-5-6;12*1-2;;/h2*3-10H,1-2H3;3-7,9H,1-2H3;3-4,6-8,10H,1-2H3;3*3-8H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;12*1-2H3;;/q;;2*-2;;;;;;;;;;;;;;;;;;;;
InChIKeyMPRQHDVVWIJESS-UHFFFAOYSA-N
MW2099.90 g/mol
LogP45.35
Rot. Bonds2

About 2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium)

2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium) (PubChem CID 160997034) has the molecular formula C143H189NY2-4 and a molecular weight of 2099.90 g/mol. Its IUPAC name is 2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium).

Molecular Properties

Compound Name2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium)
PubChem CID160997034
Molecular FormulaC143H189NY2-4
Molecular Weight2099.90 g/mol
Exact Mass2098.30
IUPAC Name2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2ccccc2c(C)c2ccccc12.Cc1c[c-]c(-c2[c-]cc(C)cc2)cc1.Cc1c[c-]c(-c2[c-]ccc(C)c2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.[Y].[Y]
InChIInChI=1S/2C16H14.2C14H12.3C12H12.2C8H10.C7H9N.12C2H6.2Y/c1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)8-5-6;12*1-2;;/h2*3-10H,1-2H3;3-7,9H,1-2H3;3-4,6-8,10H,1-2H3;3*3-8H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;12*1-2H3;;/q;;2*-2;;;;;;;;;;;;;;;;;;;;
InChIKeyMPRQHDVVWIJESS-UHFFFAOYSA-N
XLogP45.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002099.90
LogP ≤ 545.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium) with MolForge

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Related Compounds

2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium)
CID 160651688
2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,3-xylene;1,4-xylene
CID 157392918
2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 162072402
2,6-dimethylanthracene;9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;ethane
CID 163573009
1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene
CID 159823913
ethane;1-methyl-3-phenylbenzene-4-ide;1-methyl-4-phenylbenzene-5-ide;(yttrium)
CID 157288339
1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161126825
ethane;1-methyl-2-phenylbenzene-3-ide;1-methyl-3-phenylbenzene-2-ide;1-methyl-3-phenylbenzene-4-ide;1-methyl-4-phenylbenzene-5-ide;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;(yttrium)
CID 159281743
2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157379473
ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium)
CID 158718781
2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene
CID 159876086
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 158627561

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium)?
The IUPAC name of 2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium) (CID 160997034) is 2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium).
What is the SMILES notation for 2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium)?
The canonical SMILES for 2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2ccccc2c(C)c2ccccc12.Cc1c[c-]c(-c2[c-]cc(C)cc2)cc1.Cc1c[c-]c(-c2[c-]ccc(C)c2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.[Y].[Y].
What is the InChIKey of 2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium)?
The InChIKey is MPRQHDVVWIJESS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14.2C14H12.3C12H12.2C8H10.C7H9N.12C2H6.2Y/c1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)8-5-6;12*1-2;;/h2*3-10H,1-2H3;3-7,9H,1-2H3;3-4,6-8,10H,1-2H3;3*3-8H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;12*1-2H3;;/q;;2*-2;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium)?
2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium) has a molecular weight of 2099.90 g/mol, XLogP of 45.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium) is sourced from PubChem (CID 160997034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).