6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole

C158H192N10O2S2 — CID 158777762

IUPAC6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole
SMILESCC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(c1)ncn2C.CC1=Nc2cc(C(C)(C)C)ccc2C1.CC1=Nc2cc(C)ccc2C1.CCn1cnc2cc(C(C)C)ccc21.Cc1cc2ccc(C(C)(C)C)cc2o1.Cc1cc2ccc(C(C)(C)C)cc2s1
InChIInChI=1S/C14H16.C13H17N.C13H15N.C13H16O.C13H16S.C12H16N2.2C12H15N.C12H14O.C12H14S.C11H14N2.C11H13N.C10H11N/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;2*1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-4-14-8-13-11-7-10(9(2)3)5-6-12(11)14;4*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7-3-4-9-6-8(2)11-10(9)5-7/h4-10H,1-3H3;5-6,8H,7H2,1-4H3;4-9H,1-3H3;2*5-8H,1-4H3;5-9H,4H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;3*4-8H,1-3H3;3-4,6-8H,5H2,1-2H3;3-5H,6H2,1-2H3
InChIKeyIQRLCLWMYXKAEK-UHFFFAOYSA-N
MW2327.48 g/mol
LogP45.85
Rot. Bonds4

About 6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole

6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole (PubChem CID 158777762) has the molecular formula C158H192N10O2S2 and a molecular weight of 2327.48 g/mol. Its IUPAC name is 6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole.

Molecular Properties

Compound Name6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole
PubChem CID158777762
Molecular FormulaC158H192N10O2S2
Molecular Weight2327.48 g/mol
Exact Mass2325.47
IUPAC Name6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole
SMILESCC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(c1)ncn2C.CC1=Nc2cc(C(C)(C)C)ccc2C1.CC1=Nc2cc(C)ccc2C1.CCn1cnc2cc(C(C)C)ccc21.Cc1cc2ccc(C(C)(C)C)cc2o1.Cc1cc2ccc(C(C)(C)C)cc2s1
InChIInChI=1S/C14H16.C13H17N.C13H15N.C13H16O.C13H16S.C12H16N2.2C12H15N.C12H14O.C12H14S.C11H14N2.C11H13N.C10H11N/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;2*1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-4-14-8-13-11-7-10(9(2)3)5-6-12(11)14;4*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7-3-4-9-6-8(2)11-10(9)5-7/h4-10H,1-3H3;5-6,8H,7H2,1-4H3;4-9H,1-3H3;2*5-8H,1-4H3;5-9H,4H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;3*4-8H,1-3H3;3-4,6-8H,5H2,1-2H3;3-5H,6H2,1-2H3
InChIKeyIQRLCLWMYXKAEK-UHFFFAOYSA-N
XLogP45.85
TPSA136.61 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002327.48
LogP ≤ 545.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole with MolForge

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Related Compounds

CID 157388239
CID 157388239
CID 157652393
CID 157652393
tert-butylbenzene;bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;bis(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;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
CID 157716365
1-Tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane
CID 158150156
CID 159393370
CID 159393370
6-Dibenzothiophen-2-yl-3-isocyano-1,9-diphenylcarbazole;3,9-di(dibenzofuran-2-yl)-6-isocyanocarbazole;3-isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 160492128
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
1-butoxy-4-tert-butylbenzene;2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethenylbenzene;1-tert-butyl-4-ethoxybenzene;bis(1-tert-butyl-4-ethylsulfanylbenzene);2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxynaphthalene;2-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-4-methylsulfanylbenzene;2-tert-butylnaphthalene;2-tert-butyl-3-propan-2-yl-1H-indole;1-tert-butyl-4-propan-2-ylsulfanylbenzene;3-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)-1H-benzimidazole;2,6-ditert-butyl-1H-benzimidazole;methyl 4-tert-butylbenzoate
CID 160943749
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
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
1-butoxy-4-tert-butylbenzene;2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethoxybenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxynaphthalene;2-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;1-tert-butyl-4-(2-methylpropyl)benzene;2-tert-butylnaphthalene;2-tert-butyl-3-propan-2-yl-1H-indole;3-tert-butylquinoline;2-tert-butyl-6-(trifluoromethyl)-1H-benzimidazole;2,6-ditert-butyl-1H-benzimidazole
CID 162206945
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;1-tert-butylpiperidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165068091

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole?
The IUPAC name of 6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole (CID 158777762) is 6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole.
What is the SMILES notation for 6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole?
The canonical SMILES for 6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole is CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(c1)ncn2C.CC1=Nc2cc(C(C)(C)C)ccc2C1.CC1=Nc2cc(C)ccc2C1.CCn1cnc2cc(C(C)C)ccc21.Cc1cc2ccc(C(C)(C)C)cc2o1.Cc1cc2ccc(C(C)(C)C)cc2s1.
What is the InChIKey of 6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole?
The InChIKey is IQRLCLWMYXKAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C13H17N.C13H15N.C13H16O.C13H16S.C12H16N2.2C12H15N.C12H14O.C12H14S.C11H14N2.C11H13N.C10H11N/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;2*1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-4-14-8-13-11-7-10(9(2)3)5-6-12(11)14;4*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7-3-4-9-6-8(2)11-10(9)5-7/h4-10H,1-3H3;5-6,8H,7H2,1-4H3;4-9H,1-3H3;2*5-8H,1-4H3;5-9H,4H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;3*4-8H,1-3H3;3-4,6-8H,5H2,1-2H3;3-5H,6H2,1-2H3.
What are the key properties of 6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole?
6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole has a molecular weight of 2327.48 g/mol, XLogP of 45.85, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-benzofuran;6-tert-butyl-1-benzothiophene;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole is sourced from PubChem (CID 158777762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).