carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium

C117H143OSY- — CID 160988336

IUPACcarbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium
SMILESC.C.C.CCC.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.[CH3-].[Y]
InChIInChI=1S/C17H20.C15H16.C14H14O.C14H14S.C14H14.C12H12.3C8H10.C3H8.3CH4.CH3.Y/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-3-2;;;;;/h5-12H,1-4H3;3-10H,11H2,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3*3-6H,1-2H3;3H2,1-2H3;3*1H4;1H3;/q;;;;;;;;;;;;;-1;
InChIKeyJIUJCKDEGIYLLK-UHFFFAOYSA-N
MW1686.40 g/mol
LogP35.18
Rot. Bonds9

About carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium

carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium (PubChem CID 160988336) has the molecular formula C117H143OSY- and a molecular weight of 1686.40 g/mol. Its IUPAC name is carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium.

Molecular Properties

Compound Namecarbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium
PubChem CID160988336
Molecular FormulaC117H143OSY-
Molecular Weight1686.40 g/mol
Exact Mass1684.99
IUPAC Namecarbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium
SMILESC.C.C.CCC.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.[CH3-].[Y]
InChIInChI=1S/C17H20.C15H16.C14H14O.C14H14S.C14H14.C12H12.3C8H10.C3H8.3CH4.CH3.Y/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-3-2;;;;;/h5-12H,1-4H3;3-10H,11H2,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3*3-6H,1-2H3;3H2,1-2H3;3*1H4;1H3;/q;;;;;;;;;;;;;-1;
InChIKeyJIUJCKDEGIYLLK-UHFFFAOYSA-N
XLogP35.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001686.40
LogP ≤ 535.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium?
The IUPAC name of carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium (CID 160988336) is carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium.
What is the SMILES notation for carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium?
The canonical SMILES for carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium is C.C.C.CCC.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.[CH3-].[Y].
What is the InChIKey of carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium?
The InChIKey is JIUJCKDEGIYLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C15H16.C14H14O.C14H14S.C14H14.C12H12.3C8H10.C3H8.3CH4.CH3.Y/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-3-2;;;;;/h5-12H,1-4H3;3-10H,11H2,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3*3-6H,1-2H3;3H2,1-2H3;3*1H4;1H3;/q;;;;;;;;;;;;;-1;.
What are the key properties of carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium?
carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium has a molecular weight of 1686.40 g/mol, XLogP of 35.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium is sourced from PubChem (CID 160988336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).