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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Related Compounds

2-[6-Tert-butyl-1-[6-tert-butyl-2-[(6-fluoro-2-pyridinyl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-6-fluoropyridine
CID 178336590
4-Fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine
CID 88923617
2-(6-Fluorotriphenylen-2-yl)-6-phenoxathiin-4-ylpyridine
CID 88923727
2,2'-[Oxybis(benzene-4,1-diylmethylenesulfane-diyl)]bis(4,6-dimethylquinoline)
CID 129747226
6,22-Dioxaparazylenyl 2,10,18,26-tetrathia-33,35 diaza pentacyclo (27.3.1.1^4,8^.1^12,16^.1^20,24^)hexatriconta-4,6,8(36),12,14,16(35),20,22, 24(34),28,30,32-dodecaene
CID 139066064
8-Methoxy-3,4,10,11-tetraphenyl-2-thia-12-azatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene
CID 168307344
2-(3-Naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
CID 58692957
2-(3-Phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
CID 58693105
2,6-Bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-phenylpyridine
CID 58725562
2,6-Bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 58725571
2,4,6-Tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine
CID 58725579
2-[5-Methoxy-9-[7-[5-methoxy-3-(6-methyl-2-pyridinyl)benzo[a]anthracen-9-yl]naphthalen-2-yl]benzo[a]anthracen-3-yl]-6-methylpyridine
CID 59805137

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).