2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline

C223H270N14O3S3 — CID 158770685

IUPAC2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1=CCc2ccccc21.CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1=NCc2ccccc21.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cnc2c(c1)COCC2.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1noc2ccccc12
InChIInChI=1S/2C14H16.C13H19N.3C13H15N.2C13H16.2C12H14N2.C12H17NO.2C12H15N.C12H14O.C12H14S.C11H13NO.2C11H13NS/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-12(2,3)10-6-9-8-14-5-4-11(9)13-7-10;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;3*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h2*4-10H,1-3H3;6-7,9,14H,4-5,8H2,1-3H3;3*4-9H,1-3H3;4-8H,9H2,1-3H3;4-7,9H,8H2,1-3H3;2*4-8H,1-3H3;6-7H,4-5,8H2,1-3H3;2*4-7H,8H2,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3
InChIKeyIPVAFHAHMYYONF-UHFFFAOYSA-N
MW3290.91 g/mol
LogP62.50
Rot. Bonds

About 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline

2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline (PubChem CID 158770685) has the molecular formula C223H270N14O3S3 and a molecular weight of 3290.91 g/mol. Its IUPAC name is 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline
PubChem CID158770685
Molecular FormulaC223H270N14O3S3
Molecular Weight3290.91 g/mol
Exact Mass3288.06
IUPAC Name2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1=CCc2ccccc21.CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1=NCc2ccccc21.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cnc2c(c1)COCC2.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1noc2ccccc12
InChIInChI=1S/2C14H16.C13H19N.3C13H15N.2C13H16.2C12H14N2.C12H17NO.2C12H15N.C12H14O.C12H14S.C11H13NO.2C11H13NS/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-12(2,3)10-6-9-8-14-5-4-11(9)13-7-10;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;3*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h2*4-10H,1-3H3;6-7,9,14H,4-5,8H2,1-3H3;3*4-9H,1-3H3;4-8H,9H2,1-3H3;4-7,9H,8H2,1-3H3;2*4-8H,1-3H3;6-7H,4-5,8H2,1-3H3;2*4-7H,8H2,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3
InChIKeyIPVAFHAHMYYONF-UHFFFAOYSA-N
XLogP62.50
TPSA214.05 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003290.91
LogP ≤ 562.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline with MolForge

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Launch Full Analysis

Related Compounds

N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;2-ethyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;N-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-1,7-naphthyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160863111
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160944258
bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
CID 161428508
2-(5-tert-butyl-2-methylbenzimidazol-1-yl)-N,N-dimethylethanamine;N,N-dimethyl-2-(6-propan-2-yl-1-benzofuran-3-yl)ethanamine;N,N-dimethyl-2-(6-propan-2-yl-1-benzothiophen-3-yl)ethanamine;N,N-dimethyl-1-(7-propan-2-yl-1,3-dihydro-2-benzothiophen-4-yl)piperidin-4-amine;N,N-dimethyl-1-(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)piperidin-4-amine;N,N-dimethyl-2-(5-propan-2-ylimidazo[4,5-b]pyridin-1-yl)ethanamine;N,N-dimethyl-2-(5-propan-2-ylindol-1-yl)ethanamine;N,N-dimethyl-2-(5-propan-2-ylpyrrolo[3,2-b]pyridin-1-yl)ethanamine;N,N-dimethyl-2-[5-propan-2-yl-2-(trifluoromethyl)benzimidazol-1-yl]ethanamine
CID 167592122
18-[4-[4-[3-[18-(4,6-Diphenyl-1,3,5-triazin-2-yl)-21-naphthalen-1-yl-9-thia-4,7,13,16,18,21,23,26-octazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaen-5-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-21-phenyl-9-oxa-5,14,18,21,25-pentazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 134232988
4-Dibenzofuran-2-yl-17-[4-[2-[17-[4-[2-(17-dibenzothiophen-2-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)dibenzothiophen-4-yl]dibenzothiophen-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484028
8-[17-([1]Benzofuro[3,2-b]pyridin-8-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]-6-[6-[17-[8-[6-[17-([1]benzothiolo[2,3-c]pyridin-6-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]-[1]benzothiolo[2,3-c]pyridin-8-yl]-[1]benzothiolo[2,3-b]pyridin-6-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]-[1]benzothiolo[2,3-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine
CID 139484280
6-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-8-(1H-indol-2-yl)-2-naphthalen-1-yl-3-naphthalen-1-ylsulfanyl-7-pyrazin-2-ylquinoxaline
CID 141037706
2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole
CID 141050937
3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole
CID 141069268
7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-1,3-benzothiazole
CID 141309965
2-[4-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-(1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)-5-(1,8-naphthyridin-2-yl)-1-(1,2-oxazol-3-yl)-6-quinoxalin-2-yl-3H-indol-7-yl]-1,3-oxazole
CID 141422699

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline (CID 158770685) is 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline is CC(C)(C)C1=CCc2ccccc21.CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1=NCc2ccccc21.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cnc2c(c1)COCC2.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1noc2ccccc12.
What is the InChIKey of 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is IPVAFHAHMYYONF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16.C13H19N.3C13H15N.2C13H16.2C12H14N2.C12H17NO.2C12H15N.C12H14O.C12H14S.C11H13NO.2C11H13NS/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-12(2,3)10-6-9-8-14-5-4-11(9)13-7-10;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;3*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h2*4-10H,1-3H3;6-7,9,14H,4-5,8H2,1-3H3;3*4-9H,1-3H3;4-8H,9H2,1-3H3;4-7,9H,8H2,1-3H3;2*4-8H,1-3H3;6-7H,4-5,8H2,1-3H3;2*4-7H,8H2,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3.
What are the key properties of 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline?
2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 3290.91 g/mol, XLogP of 62.50, 0 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-3H-indole;3-tert-butyl-1H-isoindole;3-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;2-tert-butylquinoxaline;7-tert-butyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158770685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).