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

C250H297F5N8O5S — CID 161369268

IUPAC2-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
SMILESCC(C)(C)c1cc2ccccc2s1.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)c1ccc2ccccc2c1F.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1-c1ccccc1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnn(-c2ccccc2)c1.COc1cc2ccc(C(C)(C)C)cc2cn1.COc1ccc2cc(C(C)(C)C)ccc2n1.COc1cccc2cc(C(C)(C)C)ccc12.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.C13H16N2.C13H17N.3C13H15N.C12H14S.C12H18.C11H13F3O/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)11-9-14-15(10-11)12-7-5-4-6-8-12;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)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/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;4-10H,1-3H3;5-9H,1-4H3;3*4-9H,1-3H3;4-8H,1-3H3;6-8H,1-5H3;4-7H,1-3H3
InChIKeyVQGBDBCNIKHLJI-UHFFFAOYSA-N
MW3621.23 g/mol
LogP71.73
Rot. Bonds8

About 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

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 (PubChem CID 161369268) has the molecular formula C250H297F5N8O5S and a molecular weight of 3621.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID161369268
Molecular FormulaC250H297F5N8O5S
Molecular Weight3621.23 g/mol
Exact Mass3618.29
IUPAC Name2-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
SMILESCC(C)(C)c1cc2ccccc2s1.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)c1ccc2ccccc2c1F.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1-c1ccccc1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnn(-c2ccccc2)c1.COc1cc2ccc(C(C)(C)C)cc2cn1.COc1ccc2cc(C(C)(C)C)ccc2n1.COc1cccc2cc(C(C)(C)C)ccc12.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.C13H16N2.C13H17N.3C13H15N.C12H14S.C12H18.C11H13F3O/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)11-9-14-15(10-11)12-7-5-4-6-8-12;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)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/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;4-10H,1-3H3;5-9H,1-4H3;3*4-9H,1-3H3;4-8H,1-3H3;6-8H,1-5H3;4-7H,1-3H3
InChIKeyVQGBDBCNIKHLJI-UHFFFAOYSA-N
XLogP71.73
TPSA133.35 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms269
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003621.23
LogP ≤ 571.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

15-(1-benzothiophen-3-yl)-17-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;15-(9-phenylcarbazol-3-yl)-10-oxa-19,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 157258443
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
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
5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[2H-indole-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[indene-1,4'-piperidine];1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine
CID 160921943
5,10-Bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine
CID 162051928
1,11-Dimethyl-10-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-2-yl]oxypyrazolo[1,5-f]phenanthridin-1-ium
CID 123213340
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
2-Tert-butyl-1-benzothiophene;1-tert-butyl-4-fluoronaphthalene;6-tert-butylisoquinoline;6-tert-butyl-3-methyl-1,2-benzoxazole;6-tert-butyl-1-methylindole;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;6-tert-butyl-1-phenylmethoxynaphthalene;4-tert-butyl-1-phenylpyrazole;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline
CID 158320306
20-dibenzofuran-2-yl-17-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-16-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;16-methyl-20-pyridin-3-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;4-(10-oxa-16-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-20-yl)-N,N-diphenylaniline;20-phenyl-10-oxa-15,16-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 159587605
9',9'-dimethyl-N-phenyl-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-2'-amine;5'-oxo-N,5'-diphenyl-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-amine;2'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 159625682
9',9'-Dimethyl-2'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];3'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];3'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 159669821
4-(2-Fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine
CID 160201060

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc2ccccc2s1.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)c1ccc2ccccc2c1F.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1-c1ccccc1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnn(-c2ccccc2)c1.COc1cc2ccc(C(C)(C)C)cc2cn1.COc1ccc2cc(C(C)(C)C)ccc2n1.COc1cccc2cc(C(C)(C)C)ccc12.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;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?
The InChIKey is VQGBDBCNIKHLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O.C16H18.C15H18O.C15H18.2C14H15F.2C14H17NO.C14H16.C14H20.C13H16N2.C13H17N.3C13H15N.C12H14S.C12H18.C11H13F3O/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)11-9-14-15(10-11)12-7-5-4-6-8-12;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)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/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;4-10H,1-3H3;5-9H,1-4H3;3*4-9H,1-3H3;4-8H,1-3H3;6-8H,1-5H3;4-7H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 3621.23 g/mol, XLogP of 71.73, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161369268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).