6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane

C197H199NO5S4 — CID 158591449

IUPAC6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane
SMILESC.C.C.C.C.C.CC(C)(C)c1ccc2oc3ncccc3c2c1.CC(C)(C)c1cccc2c1oc1c(-c3ccccc3)cccc12.CC(C)(C)c1cccc2c1oc1cc(-c3ccccc3)ccc12.CC(C)(C)c1cccc2c1oc1ccc(-c3ccccc3)cc12.CC(C)(C)c1cccc2c1oc1cccc(-c3ccccc3)c12.CC(C)(C)c1cccc2c1sc1c(-c3ccccc3)cccc12.CC(C)(C)c1cccc2c1sc1cc(-c3ccccc3)ccc12.CC(C)(C)c1cccc2c1sc1ccc(-c3ccccc3)cc12.CC(C)(C)c1cccc2c1sc1cccc(-c3ccccc3)c12
InChIInChI=1S/4C22H20O.4C22H20S.C15H15NO.6CH4/c1-22(2,3)18-13-7-12-17-20-16(15-9-5-4-6-10-15)11-8-14-19(20)23-21(17)18;1-22(2,3)19-14-8-13-18-17-12-7-11-16(20(17)23-21(18)19)15-9-5-4-6-10-15;1-22(2,3)19-11-7-10-18-17-13-12-16(14-20(17)23-21(18)19)15-8-5-4-6-9-15;1-22(2,3)19-11-7-10-17-18-14-16(15-8-5-4-6-9-15)12-13-20(18)23-21(17)19;1-22(2,3)18-13-7-12-17-20-16(15-9-5-4-6-10-15)11-8-14-19(20)23-21(17)18;1-22(2,3)19-14-8-13-18-17-12-7-11-16(20(17)23-21(18)19)15-9-5-4-6-10-15;1-22(2,3)19-11-7-10-18-17-13-12-16(14-20(17)23-21(18)19)15-8-5-4-6-9-15;1-22(2,3)19-11-7-10-17-18-14-16(15-8-5-4-6-9-15)12-13-20(18)23-21(17)19;1-15(2,3)10-6-7-13-12(9-10)11-5-4-8-16-14(11)17-13;;;;;;/h8*4-14H,1-3H3;4-9H,1-3H3;6*1H4
InChIKeyHUMKIHFDJKDNHJ-UHFFFAOYSA-N
MW2789.03 g/mol
LogP62.37
Rot. Bonds8

About 6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane

6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane (PubChem CID 158591449) has the molecular formula C197H199NO5S4 and a molecular weight of 2789.03 g/mol. Its IUPAC name is 6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane.

Molecular Properties

Compound Name6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane
PubChem CID158591449
Molecular FormulaC197H199NO5S4
Molecular Weight2789.03 g/mol
Exact Mass2786.42
IUPAC Name6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane
SMILESC.C.C.C.C.C.CC(C)(C)c1ccc2oc3ncccc3c2c1.CC(C)(C)c1cccc2c1oc1c(-c3ccccc3)cccc12.CC(C)(C)c1cccc2c1oc1cc(-c3ccccc3)ccc12.CC(C)(C)c1cccc2c1oc1ccc(-c3ccccc3)cc12.CC(C)(C)c1cccc2c1oc1cccc(-c3ccccc3)c12.CC(C)(C)c1cccc2c1sc1c(-c3ccccc3)cccc12.CC(C)(C)c1cccc2c1sc1cc(-c3ccccc3)ccc12.CC(C)(C)c1cccc2c1sc1ccc(-c3ccccc3)cc12.CC(C)(C)c1cccc2c1sc1cccc(-c3ccccc3)c12
InChIInChI=1S/4C22H20O.4C22H20S.C15H15NO.6CH4/c1-22(2,3)18-13-7-12-17-20-16(15-9-5-4-6-10-15)11-8-14-19(20)23-21(17)18;1-22(2,3)19-14-8-13-18-17-12-7-11-16(20(17)23-21(18)19)15-9-5-4-6-10-15;1-22(2,3)19-11-7-10-18-17-13-12-16(14-20(17)23-21(18)19)15-8-5-4-6-9-15;1-22(2,3)19-11-7-10-17-18-14-16(15-8-5-4-6-9-15)12-13-20(18)23-21(17)19;1-22(2,3)18-13-7-12-17-20-16(15-9-5-4-6-10-15)11-8-14-19(20)23-21(17)18;1-22(2,3)19-14-8-13-18-17-12-7-11-16(20(17)23-21(18)19)15-9-5-4-6-10-15;1-22(2,3)19-11-7-10-18-17-13-12-16(14-20(17)23-21(18)19)15-8-5-4-6-9-15;1-22(2,3)19-11-7-10-17-18-14-16(15-8-5-4-6-9-15)12-13-20(18)23-21(17)19;1-15(2,3)10-6-7-13-12(9-10)11-5-4-8-16-14(11)17-13;;;;;;/h8*4-14H,1-3H3;4-9H,1-3H3;6*1H4
InChIKeyHUMKIHFDJKDNHJ-UHFFFAOYSA-N
XLogP62.37
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms207
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002789.03
LogP ≤ 562.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane with MolForge

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Related Compounds

tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene
CID 159707731
1-tert-butyl-6-phenyldibenzofuran;1-tert-butyl-7-phenyldibenzofuran;2-tert-butyl-6-phenyldibenzofuran;2-tert-butyl-7-phenyldibenzofuran;3-tert-butyl-7-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran
CID 165019061
2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran
CID 165009748
4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran
CID 158113882
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 163712532
1-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene
CID 163769384
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline;7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenylaniline
CID 160895838
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-3-ylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-3-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 159819778
1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran
CID 137466636
6-tert-butyl-2-[7-(5-dibenzothiophen-2-yl-2,5-dimethylhexan-2-yl)dibenzothiophen-1-yl]dibenzofuran
CID 170073956
1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;6-tert-butylnaphtho[2,1-b][1]benzofuran;6-tert-butylnaphtho[2,1-b][1]benzothiole;4-tert-butyl-1-phenyldibenzofuran;4-tert-butyl-1-phenyldibenzothiophene
CID 160869502
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 165023327

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane?
The IUPAC name of 6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane (CID 158591449) is 6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane.
What is the SMILES notation for 6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane?
The canonical SMILES for 6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane is C.C.C.C.C.C.CC(C)(C)c1ccc2oc3ncccc3c2c1.CC(C)(C)c1cccc2c1oc1c(-c3ccccc3)cccc12.CC(C)(C)c1cccc2c1oc1cc(-c3ccccc3)ccc12.CC(C)(C)c1cccc2c1oc1ccc(-c3ccccc3)cc12.CC(C)(C)c1cccc2c1oc1cccc(-c3ccccc3)c12.CC(C)(C)c1cccc2c1sc1c(-c3ccccc3)cccc12.CC(C)(C)c1cccc2c1sc1cc(-c3ccccc3)ccc12.CC(C)(C)c1cccc2c1sc1ccc(-c3ccccc3)cc12.CC(C)(C)c1cccc2c1sc1cccc(-c3ccccc3)c12.
What is the InChIKey of 6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane?
The InChIKey is HUMKIHFDJKDNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C22H20O.4C22H20S.C15H15NO.6CH4/c1-22(2,3)18-13-7-12-17-20-16(15-9-5-4-6-10-15)11-8-14-19(20)23-21(17)18;1-22(2,3)19-14-8-13-18-17-12-7-11-16(20(17)23-21(18)19)15-9-5-4-6-10-15;1-22(2,3)19-11-7-10-18-17-13-12-16(14-20(17)23-21(18)19)15-8-5-4-6-9-15;1-22(2,3)19-11-7-10-17-18-14-16(15-8-5-4-6-9-15)12-13-20(18)23-21(17)19;1-22(2,3)18-13-7-12-17-20-16(15-9-5-4-6-10-15)11-8-14-19(20)23-21(17)18;1-22(2,3)19-14-8-13-18-17-12-7-11-16(20(17)23-21(18)19)15-9-5-4-6-10-15;1-22(2,3)19-11-7-10-18-17-13-12-16(14-20(17)23-21(18)19)15-8-5-4-6-9-15;1-22(2,3)19-11-7-10-17-18-14-16(15-8-5-4-6-9-15)12-13-20(18)23-21(17)19;1-15(2,3)10-6-7-13-12(9-10)11-5-4-8-16-14(11)17-13;;;;;;/h8*4-14H,1-3H3;4-9H,1-3H3;6*1H4.
What are the key properties of 6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane?
6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane has a molecular weight of 2789.03 g/mol, XLogP of 62.37, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-[1]benzofuro[2,3-b]pyridine;4-tert-butyl-6-phenyldibenzofuran;6-tert-butyl-1-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran;4-tert-butyl-6-phenyldibenzothiophene;6-tert-butyl-1-phenyldibenzothiophene;6-tert-butyl-2-phenyldibenzothiophene;6-tert-butyl-3-phenyldibenzothiophene;methane is sourced from PubChem (CID 158591449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).