tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium

C98H142N10Y-2 — CID 157078453

IUPACtetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.[H]/[C-]=C/C=[C-]/C(C)(C)C.[Y]
InChIInChI=1S/10C9H13N.C8H12.Y/c2*1-9(2,3)8-4-6-10-7-5-8;4*1-9(2,3)8-5-4-6-10-7-8;4*1-9(2,3)8-6-4-5-7-10-8;1-5-6-7-8(2,3)4;/h10*4-7H,1-3H3;1,5-6H,2-4H3;/q;;;;;;;;;;-2;
InChIKeyREFLHSLEOMSHGA-UHFFFAOYSA-N
MW1549.19 g/mol
LogP26.17
Rot. Bonds1

About tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium

tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium (PubChem CID 157078453) has the molecular formula C98H142N10Y-2 and a molecular weight of 1549.19 g/mol. Its IUPAC name is tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium.

Molecular Properties

Compound Nametetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium
PubChem CID157078453
Molecular FormulaC98H142N10Y-2
Molecular Weight1549.19 g/mol
Exact Mass1548.05
IUPAC Nametetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.[H]/[C-]=C/C=[C-]/C(C)(C)C.[Y]
InChIInChI=1S/10C9H13N.C8H12.Y/c2*1-9(2,3)8-4-6-10-7-5-8;4*1-9(2,3)8-5-4-6-10-7-8;4*1-9(2,3)8-6-4-5-7-10-8;1-5-6-7-8(2,3)4;/h10*4-7H,1-3H3;1,5-6H,2-4H3;/q;;;;;;;;;;-2;
InChIKeyREFLHSLEOMSHGA-UHFFFAOYSA-N
XLogP26.17
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001549.19
LogP ≤ 526.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium?
The IUPAC name of tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium (CID 157078453) is tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium.
What is the SMILES notation for tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium?
The canonical SMILES for tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium is CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.[H]/[C-]=C/C=[C-]/C(C)(C)C.[Y].
What is the InChIKey of tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium?
The InChIKey is REFLHSLEOMSHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/10C9H13N.C8H12.Y/c2*1-9(2,3)8-4-6-10-7-5-8;4*1-9(2,3)8-5-4-6-10-7-8;4*1-9(2,3)8-6-4-5-7-10-8;1-5-6-7-8(2,3)4;/h10*4-7H,1-3H3;1,5-6H,2-4H3;/q;;;;;;;;;;-2;.
What are the key properties of tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium?
tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium has a molecular weight of 1549.19 g/mol, XLogP of 26.17, 1 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium is sourced from PubChem (CID 157078453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).