4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane)

C146H237N11O4S2 — CID 158774281

IUPAC4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane)
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CCCC1.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1ccoc1.CC(C)(C)n1cc2c(=O)n(C(C)(C)C)cnc2n1.CC(C)(C)n1cnc2ccccc2c1=O.CC(C)(C)n1cnc2ccsc2c1=O
InChIInChI=1S/C16H16S.C14H20.C13H20N4O.C13H15N.C12H14N2O.C12H15N.C10H12N2OS.C8H17N.C8H12O.8C5H12/c1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-12(2,3)16-8-14-10-9(11(16)18)7-17(15-10)13(4,5)6;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-12(2,3)14-8-13-10-7-5-4-6-9(10)11(14)15;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-10(2,3)12-6-11-7-4-5-14-8(7)9(12)13;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-4-5-9-6-7;8*1-5(2,3)4/h4-10H,1-3H3;8-10H,4-7H2,1-3H3;7-8H,1-6H3;4-9H,1-3H3;4-8H,1-3H3;4-8,13H,1-3H3;4-6H,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;8*1-4H3
InChIKeyIQGWPNGEZVODLA-UHFFFAOYSA-N
MW2274.71 g/mol
LogP43.56
Rot. Bonds

About 4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane)

4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane) (PubChem CID 158774281) has the molecular formula C146H237N11O4S2 and a molecular weight of 2274.71 g/mol. Its IUPAC name is 4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane).

Molecular Properties

Compound Name4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane)
PubChem CID158774281
Molecular FormulaC146H237N11O4S2
Molecular Weight2274.71 g/mol
Exact Mass2272.81
IUPAC Name4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane)
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CCCC1.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1ccoc1.CC(C)(C)n1cc2c(=O)n(C(C)(C)C)cnc2n1.CC(C)(C)n1cnc2ccccc2c1=O.CC(C)(C)n1cnc2ccsc2c1=O
InChIInChI=1S/C16H16S.C14H20.C13H20N4O.C13H15N.C12H14N2O.C12H15N.C10H12N2OS.C8H17N.C8H12O.8C5H12/c1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-12(2,3)16-8-14-10-9(11(16)18)7-17(15-10)13(4,5)6;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-12(2,3)14-8-13-10-7-5-4-6-9(10)11(14)15;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-10(2,3)12-6-11-7-4-5-14-8(7)9(12)13;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-4-5-9-6-7;8*1-5(2,3)4/h4-10H,1-3H3;8-10H,4-7H2,1-3H3;7-8H,1-6H3;4-9H,1-3H3;4-8H,1-3H3;4-8,13H,1-3H3;4-6H,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;8*1-4H3
InChIKeyIQGWPNGEZVODLA-UHFFFAOYSA-N
XLogP43.56
TPSA167.55 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002274.71
LogP ≤ 543.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane)?
The IUPAC name of 4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane) (CID 158774281) is 4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane).
What is the SMILES notation for 4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane)?
The canonical SMILES for 4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane) is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CCCC1.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1ccoc1.CC(C)(C)n1cc2c(=O)n(C(C)(C)C)cnc2n1.CC(C)(C)n1cnc2ccccc2c1=O.CC(C)(C)n1cnc2ccsc2c1=O.
What is the InChIKey of 4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane)?
The InChIKey is IQGWPNGEZVODLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S.C14H20.C13H20N4O.C13H15N.C12H14N2O.C12H15N.C10H12N2OS.C8H17N.C8H12O.8C5H12/c1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-12(2,3)16-8-14-10-9(11(16)18)7-17(15-10)13(4,5)6;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-12(2,3)14-8-13-10-7-5-4-6-9(10)11(14)15;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-10(2,3)12-6-11-7-4-5-14-8(7)9(12)13;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-4-5-9-6-7;8*1-5(2,3)4/h4-10H,1-3H3;8-10H,4-7H2,1-3H3;7-8H,1-6H3;4-9H,1-3H3;4-8H,1-3H3;4-8,13H,1-3H3;4-6H,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;8*1-4H3.
What are the key properties of 4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane)?
4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane) has a molecular weight of 2274.71 g/mol, XLogP of 43.56, 0 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyldibenzothiophene;3-tert-butylfuran;5-tert-butyl-1H-indole;3-tert-butylisoquinoline;1-tert-butylpyrrolidine;3-tert-butylquinazolin-4-one;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthieno[3,2-d]pyrimidin-4-one;2,5-ditert-butylpyrazolo[3,4-d]pyrimidin-4-one;octakis(2,2-dimethylpropane) is sourced from PubChem (CID 158774281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).