1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole

C180H162O3S6 — CID 159824565

IUPAC1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole
SMILESCC(C)(C)c1ccc2c(c1)oc1ccc3ccccc3c12.CC(C)(C)c1ccc2c(c1)sc1cc3ccccc3cc12.CC(C)(C)c1ccc2c(c1)sc1ccc3ccccc3c12.CC(C)(C)c1ccc2sc3cc4ccccc4cc3c2c1.CC(C)(C)c1cccc2c1oc1ccc3ccccc3c12.CC(C)(C)c1cccc2c1sc1cc3ccccc3cc12.CC(C)(C)c1cccc2c1sc1ccc3ccccc3c12.CC(C)(C)c1cccc2oc3cc4ccccc4cc3c12.CC(C)(C)c1cccc2sc3cc4ccccc4cc3c12
InChIInChI=1S/3C20H18O.6C20H18S/c1-20(2,3)16-9-6-10-17-19(16)15-11-13-7-4-5-8-14(13)12-18(15)21-17;1-20(2,3)16-10-6-9-15-18-14-8-5-4-7-13(14)11-12-17(18)21-19(15)16;1-20(2,3)14-9-10-16-18(12-14)21-17-11-8-13-6-4-5-7-15(13)19(16)17;1-20(2,3)16-9-6-10-17-19(16)15-11-13-7-4-5-8-14(13)12-18(15)21-17;1-20(2,3)17-10-6-9-15-16-11-13-7-4-5-8-14(13)12-18(16)21-19(15)17;1-20(2,3)16-10-6-9-15-18-14-8-5-4-7-13(14)11-12-17(18)21-19(15)16;1-20(2,3)14-9-10-16-18(12-14)21-17-11-8-13-6-4-5-7-15(13)19(16)17;1-20(2,3)15-8-9-18-17(12-15)16-10-13-6-4-5-7-14(13)11-19(16)21-18;1-20(2,3)15-8-9-16-17-10-13-6-4-5-7-14(13)11-18(17)21-19(16)12-15/h9*4-12H,1-3H3
InChIKeyNMQYDQMYTJVJRV-UHFFFAOYSA-N
MW2565.67 g/mol
LogP57.14
Rot. Bonds

About 1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole

1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole (PubChem CID 159824565) has the molecular formula C180H162O3S6 and a molecular weight of 2565.67 g/mol. Its IUPAC name is 1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole.

Molecular Properties

Compound Name1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole
PubChem CID159824565
Molecular FormulaC180H162O3S6
Molecular Weight2565.67 g/mol
Exact Mass2563.08
IUPAC Name1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole
SMILESCC(C)(C)c1ccc2c(c1)oc1ccc3ccccc3c12.CC(C)(C)c1ccc2c(c1)sc1cc3ccccc3cc12.CC(C)(C)c1ccc2c(c1)sc1ccc3ccccc3c12.CC(C)(C)c1ccc2sc3cc4ccccc4cc3c2c1.CC(C)(C)c1cccc2c1oc1ccc3ccccc3c12.CC(C)(C)c1cccc2c1sc1cc3ccccc3cc12.CC(C)(C)c1cccc2c1sc1ccc3ccccc3c12.CC(C)(C)c1cccc2oc3cc4ccccc4cc3c12.CC(C)(C)c1cccc2sc3cc4ccccc4cc3c12
InChIInChI=1S/3C20H18O.6C20H18S/c1-20(2,3)16-9-6-10-17-19(16)15-11-13-7-4-5-8-14(13)12-18(15)21-17;1-20(2,3)16-10-6-9-15-18-14-8-5-4-7-13(14)11-12-17(18)21-19(15)16;1-20(2,3)14-9-10-16-18(12-14)21-17-11-8-13-6-4-5-7-15(13)19(16)17;1-20(2,3)16-9-6-10-17-19(16)15-11-13-7-4-5-8-14(13)12-18(15)21-17;1-20(2,3)17-10-6-9-15-16-11-13-7-4-5-8-14(13)12-18(16)21-19(15)17;1-20(2,3)16-10-6-9-15-18-14-8-5-4-7-13(14)11-12-17(18)21-19(15)16;1-20(2,3)14-9-10-16-18(12-14)21-17-11-8-13-6-4-5-7-15(13)19(16)17;1-20(2,3)15-8-9-18-17(12-15)16-10-13-6-4-5-7-14(13)11-19(16)21-18;1-20(2,3)15-8-9-16-17-10-13-6-4-5-7-14(13)11-18(17)21-19(16)12-15/h9*4-12H,1-3H3
InChIKeyNMQYDQMYTJVJRV-UHFFFAOYSA-N
XLogP57.14
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms189
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002565.67
LogP ≤ 557.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene
CID 163769384
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
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-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;8-tert-butyl-7,7-dimethylbenzo[c]fluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;3-tert-butyl-9-methylcarbazole;4-tert-butyl-9-methylcarbazole
CID 159415420
1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]
CID 163986490
bis(dibenzofuran);bis(dibenzothiophene);2',7'-ditert-butyl-9,9'-spirobi[fluorene];(2-methylpropane);naphtho[1,2-b][1]benzofuran;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran;naphtho[1,2-b][1]benzothiole;naphtho[2,1-b][1]benzothiole;naphtho[2,3-b][1]benzothiole;bis(9-phenylcarbazole);bis(9,9'-spirobi[fluorene]);toluene
CID 164956321
1-tert-butyl-8-(8-tert-butylnaphtho[2,1-b][1]benzothiol-9-yl)naphtho[2,3-b][1]benzothiole
CID 167088727
1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]
CID 164990241
6-tert-butyl-2-[7-(5-dibenzothiophen-2-yl-2,5-dimethylhexan-2-yl)dibenzothiophen-1-yl]dibenzofuran
CID 170073956
8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole
CID 165031504
1-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butylnaphthalene;bis(1-tert-butyl-2-phenylbenzene);tris(1-tert-butyl-3-phenylbenzene);bis(1-tert-butyl-4-phenylbenzene)
CID 165040685
2-tert-butyl-7-(2-dibenzothiophen-4-yl-2-methylpropyl)dibenzofuran
CID 135143716

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole?
The IUPAC name of 1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole (CID 159824565) is 1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole.
What is the SMILES notation for 1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole?
The canonical SMILES for 1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole is CC(C)(C)c1ccc2c(c1)oc1ccc3ccccc3c12.CC(C)(C)c1ccc2c(c1)sc1cc3ccccc3cc12.CC(C)(C)c1ccc2c(c1)sc1ccc3ccccc3c12.CC(C)(C)c1ccc2sc3cc4ccccc4cc3c2c1.CC(C)(C)c1cccc2c1oc1ccc3ccccc3c12.CC(C)(C)c1cccc2c1sc1cc3ccccc3cc12.CC(C)(C)c1cccc2c1sc1ccc3ccccc3c12.CC(C)(C)c1cccc2oc3cc4ccccc4cc3c12.CC(C)(C)c1cccc2sc3cc4ccccc4cc3c12.
What is the InChIKey of 1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole?
The InChIKey is NMQYDQMYTJVJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H18O.6C20H18S/c1-20(2,3)16-9-6-10-17-19(16)15-11-13-7-4-5-8-14(13)12-18(15)21-17;1-20(2,3)16-10-6-9-15-18-14-8-5-4-7-13(14)11-12-17(18)21-19(15)16;1-20(2,3)14-9-10-16-18(12-14)21-17-11-8-13-6-4-5-7-15(13)19(16)17;1-20(2,3)16-9-6-10-17-19(16)15-11-13-7-4-5-8-14(13)12-18(15)21-17;1-20(2,3)17-10-6-9-15-16-11-13-7-4-5-8-14(13)12-18(16)21-19(15)17;1-20(2,3)16-10-6-9-15-18-14-8-5-4-7-13(14)11-12-17(18)21-19(15)16;1-20(2,3)14-9-10-16-18(12-14)21-17-11-8-13-6-4-5-7-15(13)19(16)17;1-20(2,3)15-8-9-18-17(12-15)16-10-13-6-4-5-7-14(13)11-19(16)21-18;1-20(2,3)15-8-9-16-17-10-13-6-4-5-7-14(13)11-18(17)21-19(16)12-15/h9*4-12H,1-3H3.
What are the key properties of 1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole?
1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole has a molecular weight of 2565.67 g/mol, XLogP of 57.14, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole is sourced from PubChem (CID 159824565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).