bis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene)

C154H214N2O7S2 — CID 165026947

IUPACbis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene)
SMILESCC(C)(C)Oc1c(C(C)(C)C)ccc2ccccc12.CC(C)(C)Oc1c(C(C)(C)C)ccc2ccccc12.CC(C)(C)Oc1c(C(C)(C)C)ccc2ccccc12.CC(C)(C)Oc1c(C(C)(C)C)ccc2ccccc12.CC(C)(C)Oc1cc2ccccc2cc1C(C)(C)C.CC(C)(C)Oc1cc2ccccc2cc1C(C)(C)C.CC(C)(C)Oc1cc2ccccc2cc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(SC(C)(C)C)n1.Cc1ccc(C(C)(C)C)c(SC(C)(C)C)n1
InChIInChI=1S/7C18H24O.2C14H23NS/c3*1-17(2,3)15-11-13-9-7-8-10-14(13)12-16(15)19-18(4,5)6;4*1-17(2,3)15-12-11-13-9-7-8-10-14(13)16(15)19-18(4,5)6;2*1-10-8-9-11(13(2,3)4)12(15-10)16-14(5,6)7/h7*7-12H,1-6H3;2*8-9H,1-7H3
InChIKeyMATOQVIJJWCUTF-UHFFFAOYSA-N
MW2269.55 g/mol
LogP46.36
Rot. Bonds9

About bis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene)

bis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene) (PubChem CID 165026947) has the molecular formula C154H214N2O7S2 and a molecular weight of 2269.55 g/mol. Its IUPAC name is bis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene).

Molecular Properties

Compound Namebis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene)
PubChem CID165026947
Molecular FormulaC154H214N2O7S2
Molecular Weight2269.55 g/mol
Exact Mass2267.59
IUPAC Namebis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene)
SMILESCC(C)(C)Oc1c(C(C)(C)C)ccc2ccccc12.CC(C)(C)Oc1c(C(C)(C)C)ccc2ccccc12.CC(C)(C)Oc1c(C(C)(C)C)ccc2ccccc12.CC(C)(C)Oc1c(C(C)(C)C)ccc2ccccc12.CC(C)(C)Oc1cc2ccccc2cc1C(C)(C)C.CC(C)(C)Oc1cc2ccccc2cc1C(C)(C)C.CC(C)(C)Oc1cc2ccccc2cc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(SC(C)(C)C)n1.Cc1ccc(C(C)(C)C)c(SC(C)(C)C)n1
InChIInChI=1S/7C18H24O.2C14H23NS/c3*1-17(2,3)15-11-13-9-7-8-10-14(13)12-16(15)19-18(4,5)6;4*1-17(2,3)15-12-11-13-9-7-8-10-14(13)16(15)19-18(4,5)6;2*1-10-8-9-11(13(2,3)4)12(15-10)16-14(5,6)7/h7*7-12H,1-6H3;2*8-9H,1-7H3
InChIKeyMATOQVIJJWCUTF-UHFFFAOYSA-N
XLogP46.36
TPSA90.39 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002269.55
LogP ≤ 546.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of bis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene)?
The IUPAC name of bis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene) (CID 165026947) is bis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene).
What is the SMILES notation for bis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene)?
The canonical SMILES for bis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene) is CC(C)(C)Oc1c(C(C)(C)C)ccc2ccccc12.CC(C)(C)Oc1c(C(C)(C)C)ccc2ccccc12.CC(C)(C)Oc1c(C(C)(C)C)ccc2ccccc12.CC(C)(C)Oc1c(C(C)(C)C)ccc2ccccc12.CC(C)(C)Oc1cc2ccccc2cc1C(C)(C)C.CC(C)(C)Oc1cc2ccccc2cc1C(C)(C)C.CC(C)(C)Oc1cc2ccccc2cc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(SC(C)(C)C)n1.Cc1ccc(C(C)(C)C)c(SC(C)(C)C)n1.
What is the InChIKey of bis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene)?
The InChIKey is MATOQVIJJWCUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/7C18H24O.2C14H23NS/c3*1-17(2,3)15-11-13-9-7-8-10-14(13)12-16(15)19-18(4,5)6;4*1-17(2,3)15-12-11-13-9-7-8-10-14(13)16(15)19-18(4,5)6;2*1-10-8-9-11(13(2,3)4)12(15-10)16-14(5,6)7/h7*7-12H,1-6H3;2*8-9H,1-7H3.
What are the key properties of bis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene)?
bis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene) has a molecular weight of 2269.55 g/mol, XLogP of 46.36, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-tert-butyl-2-tert-butylsulfanyl-6-methylpyridine);tetrakis(2-tert-butyl-1-[(2-methylpropan-2-yl)oxy]naphthalene);tris(2-tert-butyl-3-[(2-methylpropan-2-yl)oxy]naphthalene) is sourced from PubChem (CID 165026947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).