6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium)

C35H45NOY2-2 — CID 164980782

IUPAC6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium)
SMILESCC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)OCC2.Cc1[c-]cc(C(C)(C)C)c[c-]1.[Y].[Y]
InChIInChI=1S/C12H15N.C12H16O.C11H14.2Y/c2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-9-5-7-10(8-6-9)11(2,3)4;;/h4-5,7-8H,6H2,1-3H3;4-5,8H,6-7H2,1-3H3;7-8H,1-4H3;;/q;;-2;;
InChIKeyHBIFLVBNUKUDFK-UHFFFAOYSA-N
MW673.56 g/mol
LogP9.05
Rot. Bonds

About 6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium)

6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium) (PubChem CID 164980782) has the molecular formula C35H45NOY2-2 and a molecular weight of 673.56 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium).

Molecular Properties

Compound Name6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium)
PubChem CID164980782
Molecular FormulaC35H45NOY2-2
Molecular Weight673.56 g/mol
Exact Mass673.16
IUPAC Name6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium)
SMILESCC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)OCC2.Cc1[c-]cc(C(C)(C)C)c[c-]1.[Y].[Y]
InChIInChI=1S/C12H15N.C12H16O.C11H14.2Y/c2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-9-5-7-10(8-6-9)11(2,3)4;;/h4-5,7-8H,6H2,1-3H3;4-5,8H,6-7H2,1-3H3;7-8H,1-4H3;;/q;;-2;;
InChIKeyHBIFLVBNUKUDFK-UHFFFAOYSA-N
XLogP9.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.56
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-amino-2-(2,3-dihydro-1-benzofuran-6-yl)propan-2-ol
CID 82401989
2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine
CID 105426380
2-(2,3-dihydro-1-benzofuran-6-yl)-2-fluoropropan-1-amine
CID 105426382
6-(2-isocyanatopropan-2-yl)-2,3-dihydro-1-benzofuran
CID 105455223
methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate
CID 105475567
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;7-tert-butylindolizine;methane
CID 163607774
6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran
CID 59832132
2-(3,4-dihydro-2H-chromen-7-yl)-2-methylpropan-1-amine
CID 105426400
8-tert-butyl-3,4-dihydro-2H-1-benzoxepin-5-one
CID 15754865
2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 117282534
6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2-methylidene-3,4-dihydro-1H-quinoline;methane
CID 162112953

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium)?
The IUPAC name of 6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium) (CID 164980782) is 6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium).
What is the SMILES notation for 6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium)?
The canonical SMILES for 6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium) is CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)OCC2.Cc1[c-]cc(C(C)(C)C)c[c-]1.[Y].[Y].
What is the InChIKey of 6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium)?
The InChIKey is HBIFLVBNUKUDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C12H16O.C11H14.2Y/c2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-9-5-7-10(8-6-9)11(2,3)4;;/h4-5,7-8H,6H2,1-3H3;4-5,8H,6-7H2,1-3H3;7-8H,1-4H3;;/q;;-2;;.
What are the key properties of 6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium)?
6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium) has a molecular weight of 673.56 g/mol, XLogP of 9.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3H-indole;1-tert-butyl-4-methylbenzene-3,5-diide;bis(yttrium) is sourced from PubChem (CID 164980782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).