2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene

C293H358F8N6O10S — CID 158695138

IUPAC2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
SMILESCC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)c2ccccc12.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc2c(Oc3ccccc3)cccc2c1.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ccccc2c1F.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1-c1ccccc1.CC(C)(C)c1cnc2ccccc2c1.COc1cc2ccc(C(C)(C)C)cc2cn1.COc1ccc(C(C)(C)C)cc1.COc1ccc2cc(C(C)(C)C)ccc2n1.COc1cccc(C(C)(C)C)c1.COc1cccc2cc(C(C)(C)C)ccc12.COc1ccccc1C(C)(C)C.Cc1c(C(C)(C)C)ccc2ccccc12.Cc1ccc(C(C)(C)C)cc1C.Cn1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C20H20O.C16H18.C15H18O.C15H18.2C14H15F.2C14H17NO.C14H16.C14H20.C13H17N.3C13H15N.C12H16O2.C12H14S.C12H18.C11H13F3O.C11H13F3.3C11H16O/c1-20(2,3)16-12-13-18-15(14-16)8-7-11-19(18)21-17-9-5-4-6-10-17;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-15(2,3)12-8-9-13-11(10-12)6-5-7-14(13)16-4;1-11-13-8-6-5-7-12(13)9-10-14(11)15(2,3)4;1-14(2,3)12-8-9-13(15)11-7-5-4-6-10(11)12;1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;1-14(2,3)11-6-7-12-10(9-11)5-8-13(15-12)16-4;1-14(2,3)12-6-5-10-8-13(16-4)15-9-11(10)7-12;1-14(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)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-9-6-7-11(8-10(9)2)12(3,4)5;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4/h4-14H,1-3H3;4-12H,1-3H3;5-10H,1-4H3;5-10H,1-4H3;2*4-9H,1-3H3;2*5-9H,1-4H3;4-10H,1-3H3;8-10H,4-7H2,1-3H3;5-9H,1-4H3;3*4-9H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;6-8H,1-5H3;4-7H,1-3H3;4-7H,1-3H3;3*5-8H,1-4H3
InChIKeyIGVMUFUFAOHYIS-UHFFFAOYSA-N
MW4308.17 g/mol
LogP84.30
Rot. Bonds10

About 2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene

2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene (PubChem CID 158695138) has the molecular formula C293H358F8N6O10S and a molecular weight of 4308.17 g/mol. Its IUPAC name is 2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
PubChem CID158695138
Molecular FormulaC293H358F8N6O10S
Molecular Weight4308.17 g/mol
Exact Mass4304.73
IUPAC Name2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
SMILESCC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)c2ccccc12.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc2c(Oc3ccccc3)cccc2c1.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ccccc2c1F.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1-c1ccccc1.CC(C)(C)c1cnc2ccccc2c1.COc1cc2ccc(C(C)(C)C)cc2cn1.COc1ccc(C(C)(C)C)cc1.COc1ccc2cc(C(C)(C)C)ccc2n1.COc1cccc(C(C)(C)C)c1.COc1cccc2cc(C(C)(C)C)ccc12.COc1ccccc1C(C)(C)C.Cc1c(C(C)(C)C)ccc2ccccc12.Cc1ccc(C(C)(C)C)cc1C.Cn1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C20H20O.C16H18.C15H18O.C15H18.2C14H15F.2C14H17NO.C14H16.C14H20.C13H17N.3C13H15N.C12H16O2.C12H14S.C12H18.C11H13F3O.C11H13F3.3C11H16O/c1-20(2,3)16-12-13-18-15(14-16)8-7-11-19(18)21-17-9-5-4-6-10-17;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-15(2,3)12-8-9-13-11(10-12)6-5-7-14(13)16-4;1-11-13-8-6-5-7-12(13)9-10-14(11)15(2,3)4;1-14(2,3)12-8-9-13(15)11-7-5-4-6-10(11)12;1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;1-14(2,3)11-6-7-12-10(9-11)5-8-13(15-12)16-4;1-14(2,3)12-6-5-10-8-13(16-4)15-9-11(10)7-12;1-14(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)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-9-6-7-11(8-10(9)2)12(3,4)5;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4/h4-14H,1-3H3;4-12H,1-3H3;5-10H,1-4H3;5-10H,1-4H3;2*4-9H,1-3H3;2*5-9H,1-4H3;4-10H,1-3H3;8-10H,4-7H2,1-3H3;5-9H,1-4H3;3*4-9H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;6-8H,1-5H3;4-7H,1-3H3;4-7H,1-3H3;3*5-8H,1-4H3
InChIKeyIGVMUFUFAOHYIS-UHFFFAOYSA-N
XLogP84.30
TPSA161.68 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004308.17
LogP ≤ 584.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene with MolForge

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Related Compounds

2-Tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;1-tert-butyl-2-phenylbenzene;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 158172708
4-Tert-butyl-1-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)pyridin-1-ium;2-(2,4-difluoro-6-methylphenyl)-1-methylpyridin-1-ium;1,10-dimethylbenzo[h]quinolin-1-ium;2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;2-(4-methoxy-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium
CID 159529425
4-Tert-butyl-1-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)pyridin-1-ium;2-(2,4-difluoro-6-methylphenyl)-1-methylpyridin-1-ium;1,10-dimethylbenzo[h]quinolin-1-ium;2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;methane;2-(4-methoxy-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium
CID 160829592
2-Tert-butyl-1-benzothiophene;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;4-tert-butyl-1-phenylpyrazole;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 161369268
6-Tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;2-tert-butyl-1-methylnaphthalene;1-tert-butyl-2-phenylbenzene;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
CID 161839410
1-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;tetrakis(iridium);pent-2-ene-2,4-diol;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol
CID 162299135
3-(6H-benzo[c]chromen-10-yl)-6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dimethylcyclohexen-1-yl]-[1]benzothiolo[2,3-c]quinoline
CID 146489155
Iridium;15-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-4-id-1-yl]-43-[6-(4-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]-6,9,12,18,21,24,34,37,40,46,49,52-dodecaoxa-15,43,67,70,85,88-hexazatridecacyclo[27.27.10.101,29.457,66.22,5.225,28.230,33.253,56.475,84.060,69.063,68.078,87.081,86]dononaconta-2(92),3,5(91),25(90),26,28(89),30,32,53(72),54,56(71),57(70),58,60(69),61,63(68),64,66,73,75(88),76,78(87),79,81(86),82,84-hexacosaene;2-phenylpyridine
CID 155646527
2,11-Bis(4-methoxyphenyl)-8,17-dipyridin-3-yl-2,11-diazapentacyclo[10.6.2.23,6.05,10.015,19]docosa-1(19),3,5(10),6,8,12(20),13,15,17,21-decaene;7,16-di(dibenzothiophen-4-yl)-2,11-bis(3,5-difluorophenyl)-2,11-diazapentacyclo[10.6.2.23,6.05,10.015,19]docosa-1(19),3,5(10),6,8,12(20),13,15,17,21-decaene;2,11-diphenyl-7,16-bis(6-pyridin-3-yl-2-pyridinyl)-2,11-diazapentacyclo[10.6.2.23,6.05,10.015,19]docosa-1(19),3,5(10),6,8,12(20),13,15,17,21-decaene;2,8,11,17-tetraphenyl-2,11-diazapentacyclo[10.6.2.23,6.05,10.015,19]docosa-1(19),3,5(10),6,8,12(20),13,15,17,21-decaene
CID 157195067
1,3-Dimethylindole;1,2-dimethylnaphthalene;1,4-dimethylnaphthalene;2-methoxy-1-methylnaphthalene;3-methyl-1-benzothiophene;8-methylisoquinoline;4-methylquinoline
CID 157571602
N-[4-[6-[4-(N-dibenzothiophen-3-ylanilino)phenyl]benzo[b]oxanthren-11-yl]phenyl]-N-phenyldibenzothiophen-3-amine;9,9-dimethyl-N-phenyl-N-[4-[6-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]oxanthren-11-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-yl]phenyl]fluoren-2-amine;2,3,4,5,6-pentafluoro-N-[4-[6-[4-(N-(2,3,4,5,6-pentafluorophenyl)anilino)phenyl]benzo[b]oxanthren-11-yl]phenyl]-N-phenylaniline;N-(2,3,4,5,6-pentafluorophenyl)-6-[11-[4-(N-(2,3,4,5,6-pentafluorophenyl)anilino)phenyl]benzo[b]oxanthren-6-yl]-N-phenylpyridin-3-amine
CID 157608918
3,5-Bis(3-methoxyphenyl)pyridine;3,5-bis(3-pyridin-3-ylphenyl)pyridine;dibenzothiophene;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;9-(4-methoxyphenyl)carbazole
CID 157808213

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
The IUPAC name of 2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene (CID 158695138) is 2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene is CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(F)c2ccccc12.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc2c(Oc3ccccc3)cccc2c1.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ccccc2c1F.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1-c1ccccc1.CC(C)(C)c1cnc2ccccc2c1.COc1cc2ccc(C(C)(C)C)cc2cn1.COc1ccc(C(C)(C)C)cc1.COc1ccc2cc(C(C)(C)C)ccc2n1.COc1cccc(C(C)(C)C)c1.COc1cccc2cc(C(C)(C)C)ccc12.COc1ccccc1C(C)(C)C.Cc1c(C(C)(C)C)ccc2ccccc12.Cc1ccc(C(C)(C)C)cc1C.Cn1ccc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
The InChIKey is IGVMUFUFAOHYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O.C16H18.C15H18O.C15H18.2C14H15F.2C14H17NO.C14H16.C14H20.C13H17N.3C13H15N.C12H16O2.C12H14S.C12H18.C11H13F3O.C11H13F3.3C11H16O/c1-20(2,3)16-12-13-18-15(14-16)8-7-11-19(18)21-17-9-5-4-6-10-17;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-15(2,3)12-8-9-13-11(10-12)6-5-7-14(13)16-4;1-11-13-8-6-5-7-12(13)9-10-14(11)15(2,3)4;1-14(2,3)12-8-9-13(15)11-7-5-4-6-10(11)12;1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;1-14(2,3)11-6-7-12-10(9-11)5-8-13(15-12)16-4;1-14(2,3)12-6-5-10-8-13(16-4)15-9-11(10)7-12;1-14(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)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-9-6-7-11(8-10(9)2)12(3,4)5;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4/h4-14H,1-3H3;4-12H,1-3H3;5-10H,1-4H3;5-10H,1-4H3;2*4-9H,1-3H3;2*5-9H,1-4H3;4-10H,1-3H3;8-10H,4-7H2,1-3H3;5-9H,1-4H3;3*4-9H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;6-8H,1-5H3;4-7H,1-3H3;4-7H,1-3H3;3*5-8H,1-4H3.
What are the key properties of 2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene?
2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene has a molecular weight of 4308.17 g/mol, XLogP of 84.30, 10 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 158695138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).