3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene

C225H264N10O3S3 — CID 158663422

IUPAC3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene
SMILESCC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2c1CC=C2.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2ccoc12.CC(C)(C)c1cccc2ccsc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2occc12.CC(C)(C)c1cccc2sccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1coc2ccccc12.CC(C)(C)c1csc2ccccc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)n1ccc2ccccc21.CC(C)c1cccc2ccccc12
InChIInChI=1S/7C13H15N.C13H16.C13H14.3C12H15N.3C12H14O.3C12H14S/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11/h7*4-9H,1-3H3;4-7,9H,8H2,1-3H3;3-10H,1-2H3;4-8,13H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;6*4-8H,1-3H3
InChIKeyIDAUOBQRVBRIJR-UHFFFAOYSA-N
MW3252.85 g/mol
LogP66.36
Rot. Bonds1

About 3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene

3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene (PubChem CID 158663422) has the molecular formula C225H264N10O3S3 and a molecular weight of 3252.85 g/mol. Its IUPAC name is 3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene.

Molecular Properties

Compound Name3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene
PubChem CID158663422
Molecular FormulaC225H264N10O3S3
Molecular Weight3252.85 g/mol
Exact Mass3250.00
IUPAC Name3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene
SMILESCC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2c1CC=C2.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2ccoc12.CC(C)(C)c1cccc2ccsc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2occc12.CC(C)(C)c1cccc2sccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1coc2ccccc12.CC(C)(C)c1csc2ccccc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)n1ccc2ccccc21.CC(C)c1cccc2ccccc12
InChIInChI=1S/7C13H15N.C13H16.C13H14.3C12H15N.3C12H14O.3C12H14S/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11/h7*4-9H,1-3H3;4-7,9H,8H2,1-3H3;3-10H,1-2H3;4-8,13H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;6*4-8H,1-3H3
InChIKeyIDAUOBQRVBRIJR-UHFFFAOYSA-N
XLogP66.36
TPSA166.16 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds1
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003252.85
LogP ≤ 566.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene with MolForge

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Launch Full Analysis

Related Compounds

CID 157225149
CID 157225149
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
tert-butylbenzene;bis(7-tert-butyl-1-benzothiophene);bis(1-tert-butyl-3,5-bis(trifluoromethyl)benzene);tert-butyl-[(4E)-4-[3-[4-[tert-butyl(naphthalen-1-yl)amino]-2-hydroxyphenyl]-2-methyl-4-oxocyclobut-2-en-1-ylidene]-3-hydroxycyclohexa-2,5-dien-1-ylidene]-naphthalen-1-ylazanium;bis(1-tert-butyl-3,5-dihexylbenzene);bis(2-tert-butylfuran);bis(2-tert-butyl-1-methylpyrrole);bis(1-tert-butylnaphthalene);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);bis(8-tert-butylquinoline);tris(2-tert-butylthiophene)
CID 157628177
cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158835435
CID 159961606
CID 159961606
6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);6-(3,5-dimethylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;tetrakis(iridium)
CID 160273940
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
6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;tris(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(6-(3,5-dimethylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline);tetrakis(iridium);1,1,1-trifluoro-4-hydroxy-5,5-dimethylhex-3-en-2-one
CID 161020065
6-(3-Tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline
CID 161324597
tert-butylbenzene;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;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165007738
2-[[2-[2-[2-[2-[4-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrol-2-yl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 91399156
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123204204

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene?
The IUPAC name of 3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene (CID 158663422) is 3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene.
What is the SMILES notation for 3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene?
The canonical SMILES for 3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene is CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2c1CC=C2.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2ccoc12.CC(C)(C)c1cccc2ccsc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2occc12.CC(C)(C)c1cccc2sccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1coc2ccccc12.CC(C)(C)c1csc2ccccc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)n1ccc2ccccc21.CC(C)c1cccc2ccccc12.
What is the InChIKey of 3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene?
The InChIKey is IDAUOBQRVBRIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/7C13H15N.C13H16.C13H14.3C12H15N.3C12H14O.3C12H14S/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11/h7*4-9H,1-3H3;4-7,9H,8H2,1-3H3;3-10H,1-2H3;4-8,13H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;6*4-8H,1-3H3.
What are the key properties of 3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene?
3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene has a molecular weight of 3252.85 g/mol, XLogP of 66.36, 1 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-benzofuran;4-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;4-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;7-tert-butyl-1H-indene;1-tert-butylindole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;1-propan-2-ylnaphthalene is sourced from PubChem (CID 158663422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).