6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran

C97H103N5O4S2 — CID 160530864

IUPAC6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran
SMILESCc1c(C(C)(C)C)ccc2c1oc1ccccc12.Cc1cc2c(cc1C(C)(C)C)oc1ncccc12.Cc1cc2c(cc1C(C)(C)C)sc1ncccc12.Cc1cc2oc3ncccc3c2cc1C(C)(C)C.Cc1ccc2c(oc3ncccc32)c1C(C)(C)C.Cc1ccc2c(sc3ncccc32)c1C(C)(C)C
InChIInChI=1S/C17H18O.3C16H17NO.2C16H17NS/c1-11-14(17(2,3)4)10-9-13-12-7-5-6-8-15(12)18-16(11)13;1-10-7-8-11-12-6-5-9-17-15(12)18-14(11)13(10)16(2,3)4;1-10-8-14-12(9-13(10)16(2,3)4)11-6-5-7-17-15(11)18-14;1-10-8-12-11-6-5-7-17-15(11)18-14(12)9-13(10)16(2,3)4;1-10-7-8-11-12-6-5-9-17-15(12)18-14(11)13(10)16(2,3)4;1-10-8-12-11-6-5-7-17-15(11)18-14(12)9-13(10)16(2,3)4/h5-10H,1-4H3;5*5-9H,1-4H3
InChIKeyQVMYTOZANVLADH-UHFFFAOYSA-N
MW1467.06 g/mol
LogP29.06
Rot. Bonds

About 6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran

6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran (PubChem CID 160530864) has the molecular formula C97H103N5O4S2 and a molecular weight of 1467.06 g/mol. Its IUPAC name is 6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran.

Molecular Properties

Compound Name6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran
PubChem CID160530864
Molecular FormulaC97H103N5O4S2
Molecular Weight1467.06 g/mol
Exact Mass1465.75
IUPAC Name6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran
SMILESCc1c(C(C)(C)C)ccc2c1oc1ccccc12.Cc1cc2c(cc1C(C)(C)C)oc1ncccc12.Cc1cc2c(cc1C(C)(C)C)sc1ncccc12.Cc1cc2oc3ncccc3c2cc1C(C)(C)C.Cc1ccc2c(oc3ncccc32)c1C(C)(C)C.Cc1ccc2c(sc3ncccc32)c1C(C)(C)C
InChIInChI=1S/C17H18O.3C16H17NO.2C16H17NS/c1-11-14(17(2,3)4)10-9-13-12-7-5-6-8-15(12)18-16(11)13;1-10-7-8-11-12-6-5-9-17-15(12)18-14(11)13(10)16(2,3)4;1-10-8-14-12(9-13(10)16(2,3)4)11-6-5-7-17-15(11)18-14;1-10-8-12-11-6-5-7-17-15(11)18-14(12)9-13(10)16(2,3)4;1-10-7-8-11-12-6-5-9-17-15(12)18-14(11)13(10)16(2,3)4;1-10-8-12-11-6-5-7-17-15(11)18-14(12)9-13(10)16(2,3)4/h5-10H,1-4H3;5*5-9H,1-4H3
InChIKeyQVMYTOZANVLADH-UHFFFAOYSA-N
XLogP29.06
TPSA117.01 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001467.06
LogP ≤ 529.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran with MolForge

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Related Compounds

7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine
CID 153286236
21-tert-butyl-20-methyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 146820800
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
8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 172534782
7-tert-butyl-6-methyl-2-(trideuteriomethyl)-[1]benzothiolo[2,3-b]pyridine
CID 170521010
4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyrimidine
CID 155078239
2-(3-methyldibenzofuran-4-yl)pyridine
CID 118074682
2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine
CID 170112879
N,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine
CID 167171681
(2-tert-butyldibenzofuran-3-yl)methanetriol
CID 163858130
6-triphenylen-2-yl-[1]benzofuro[2,3-b]pyridine;3-triphenylen-2-yl-[1]benzothiolo[2,3-b]pyridine;6-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine;3-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine
CID 158899057
1-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene
CID 163769384

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran?
The IUPAC name of 6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran (CID 160530864) is 6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran.
What is the SMILES notation for 6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran?
The canonical SMILES for 6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran is Cc1c(C(C)(C)C)ccc2c1oc1ccccc12.Cc1cc2c(cc1C(C)(C)C)oc1ncccc12.Cc1cc2c(cc1C(C)(C)C)sc1ncccc12.Cc1cc2oc3ncccc3c2cc1C(C)(C)C.Cc1ccc2c(oc3ncccc32)c1C(C)(C)C.Cc1ccc2c(sc3ncccc32)c1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran?
The InChIKey is QVMYTOZANVLADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O.3C16H17NO.2C16H17NS/c1-11-14(17(2,3)4)10-9-13-12-7-5-6-8-15(12)18-16(11)13;1-10-7-8-11-12-6-5-9-17-15(12)18-14(11)13(10)16(2,3)4;1-10-8-14-12(9-13(10)16(2,3)4)11-6-5-7-17-15(11)18-14;1-10-8-12-11-6-5-7-17-15(11)18-14(12)9-13(10)16(2,3)4;1-10-7-8-11-12-6-5-9-17-15(12)18-14(11)13(10)16(2,3)4;1-10-8-12-11-6-5-7-17-15(11)18-14(12)9-13(10)16(2,3)4/h5-10H,1-4H3;5*5-9H,1-4H3.
What are the key properties of 6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran?
6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran has a molecular weight of 1467.06 g/mol, XLogP of 29.06, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzofuro[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzofuro[2,3-b]pyridine;7-tert-butyl-6-methyl-[1]benzothiolo[2,3-b]pyridine;8-tert-butyl-7-methyl-[1]benzothiolo[2,3-b]pyridine;3-tert-butyl-4-methyldibenzofuran is sourced from PubChem (CID 160530864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).