carbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium)

C54H92N2Y4-4 — CID 157209110

IUPACcarbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium)
SMILESCCC(C)(C)C.CCC(C)(C)c1ccc(C)cc1.CCC(C)(C)c1cccc(C)c1.CCC(C)(C)c1cccnc1.CCC(C)(C)c1ccncc1.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y]
InChIInChI=1S/2C12H18.2C10H15N.C6H14.4CH3.4Y/c1-5-12(3,4)11-8-6-10(2)7-9-11;1-5-12(3,4)11-8-6-7-10(2)9-11;1-4-10(2,3)9-5-7-11-8-6-9;1-4-10(2,3)9-6-5-7-11-8-9;1-5-6(2,3)4;;;;;;;;/h2*6-9H,5H2,1-4H3;2*5-8H,4H2,1-3H3;5H2,1-4H3;4*1H3;;;;/q;;;;;4*-1;;;;
InChIKeyOOFYLCHGXGXRDD-UHFFFAOYSA-N
MW1124.97 g/mol
LogP17.14
Rot. Bonds8

About carbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium)

carbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium) (PubChem CID 157209110) has the molecular formula C54H92N2Y4-4 and a molecular weight of 1124.97 g/mol. Its IUPAC name is carbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium).

Molecular Properties

Compound Namecarbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium)
PubChem CID157209110
Molecular FormulaC54H92N2Y4-4
Molecular Weight1124.97 g/mol
Exact Mass1124.35
IUPAC Namecarbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium)
SMILESCCC(C)(C)C.CCC(C)(C)c1ccc(C)cc1.CCC(C)(C)c1cccc(C)c1.CCC(C)(C)c1cccnc1.CCC(C)(C)c1ccncc1.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y]
InChIInChI=1S/2C12H18.2C10H15N.C6H14.4CH3.4Y/c1-5-12(3,4)11-8-6-10(2)7-9-11;1-5-12(3,4)11-8-6-7-10(2)9-11;1-4-10(2,3)9-5-7-11-8-6-9;1-4-10(2,3)9-6-5-7-11-8-9;1-5-6(2,3)4;;;;;;;;/h2*6-9H,5H2,1-4H3;2*5-8H,4H2,1-3H3;5H2,1-4H3;4*1H3;;;;/q;;;;;4*-1;;;;
InChIKeyOOFYLCHGXGXRDD-UHFFFAOYSA-N
XLogP17.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001124.97
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium) with MolForge

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Related Compounds

1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene
CID 20558537
2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
CID 104735632
3-methylpyridine;4-methylpyridine
CID 21425791
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine
CID 66259750
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
3-(1-bromo-1-pyridin-3-ylpropyl)pyridine
CID 175286517
[4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine
CID 66258782
N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane
CID 142315173
5-methyl-8-(2-methylbutan-2-yl)pyrido[3,2-b]indole
CID 67988473
3-(2,13,13-trimethyltetradecan-2-yl)pyridine
CID 126684092

Frequently Asked Questions

What is the IUPAC name of carbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium)?
The IUPAC name of carbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium) (CID 157209110) is carbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium).
What is the SMILES notation for carbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium)?
The canonical SMILES for carbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium) is CCC(C)(C)C.CCC(C)(C)c1ccc(C)cc1.CCC(C)(C)c1cccc(C)c1.CCC(C)(C)c1cccnc1.CCC(C)(C)c1ccncc1.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].
What is the InChIKey of carbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium)?
The InChIKey is OOFYLCHGXGXRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18.2C10H15N.C6H14.4CH3.4Y/c1-5-12(3,4)11-8-6-10(2)7-9-11;1-5-12(3,4)11-8-6-7-10(2)9-11;1-4-10(2,3)9-5-7-11-8-6-9;1-4-10(2,3)9-6-5-7-11-8-9;1-5-6(2,3)4;;;;;;;;/h2*6-9H,5H2,1-4H3;2*5-8H,4H2,1-3H3;5H2,1-4H3;4*1H3;;;;/q;;;;;4*-1;;;;.
What are the key properties of carbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium)?
carbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium) has a molecular weight of 1124.97 g/mol, XLogP of 17.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium) is sourced from PubChem (CID 157209110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).