1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid

C150H155B14F3N8O32S — CID 160645185

IUPAC1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid
SMILESCC(C)(C)c1ccc(B(O)O)cc1.CC(C)(C)c1cccc(B(O)O)c1.Cc1cc(B(O)O)ccc1OC(F)(F)F.Cc1cc(C)c(C)c(B(O)O)c1C.Cc1ccc2ncccc2c1B(O)O.Cn1nccc1-c1cccc(B(O)O)c1.N#Cc1ccc(B(O)O)cc1.N#Cc1cccc(B(O)O)c1.OB(O)c1cc2ccccc2s1.OB(O)c1ccc(-n2cccn2)cc1.OB(O)c1ccc2c(c1)N(c1ccccc1)c1ccccc1C2.OB(O)c1ccc2cc(OCc3ccccc3)ccc2c1.OB(O)c1cccc(OCc2ccccc2)c1.OB(O)c1cccc2c1oc1ccccc12
InChIInChI=1S/C19H16BNO2.C17H15BO3.C13H13BO3.C12H9BO3.C10H11BN2O2.C10H10BNO2.3C10H15BO2.C9H9BN2O2.C8H8BF3O3.C8H7BO2S.2C7H6BNO2/c22-20(23)16-11-10-15-12-14-6-4-5-9-18(14)21(19(15)13-16)17-7-2-1-3-8-17;19-18(20)16-8-6-15-11-17(9-7-14(15)10-16)21-12-13-4-2-1-3-5-13;15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10;1-13-10(5-6-12-13)8-3-2-4-9(7-8)11(14)15;1-7-4-5-9-8(3-2-6-12-9)10(7)11(13)14;1-10(2,3)8-4-6-9(7-5-8)11(12)13;1-6-5-7(2)9(4)10(8(6)3)11(12)13;1-10(2,3)8-5-4-6-9(7-8)11(12)13;13-10(14)8-2-4-9(5-3-8)12-7-1-6-11-12;1-5-4-6(9(13)14)2-3-7(5)15-8(10,11)12;10-9(11)8-5-6-3-1-2-4-7(6)12-8;9-5-6-1-3-7(4-2-6)8(10)11;9-5-6-2-1-3-7(4-6)8(10)11/h1-11,13,22-23H,12H2;1-11,19-20H,12H2;1-9,15-16H,10H2;1-7,14-15H;2-7,14-15H,1H3;2-6,13-14H,1H3;4-7,12-13H,1-3H3;5,12-13H,1-4H3;4-7,12-13H,1-3H3;1-7,13-14H;2-4,13-14H,1H3;1-5,10-11H;2*1-4,10-11H
InChIKeyRJRQSOWXSQQAEQ-UHFFFAOYSA-N
MW2822.34 g/mol
LogP8.15
Rot. Bonds24

About 1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid

1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid (PubChem CID 160645185) has the molecular formula C150H155B14F3N8O32S and a molecular weight of 2822.34 g/mol. Its IUPAC name is 1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid.

Molecular Properties

Compound Name1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid
PubChem CID160645185
Molecular FormulaC150H155B14F3N8O32S
Molecular Weight2822.34 g/mol
Exact Mass2823.17
IUPAC Name1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid
SMILESCC(C)(C)c1ccc(B(O)O)cc1.CC(C)(C)c1cccc(B(O)O)c1.Cc1cc(B(O)O)ccc1OC(F)(F)F.Cc1cc(C)c(C)c(B(O)O)c1C.Cc1ccc2ncccc2c1B(O)O.Cn1nccc1-c1cccc(B(O)O)c1.N#Cc1ccc(B(O)O)cc1.N#Cc1cccc(B(O)O)c1.OB(O)c1cc2ccccc2s1.OB(O)c1ccc(-n2cccn2)cc1.OB(O)c1ccc2c(c1)N(c1ccccc1)c1ccccc1C2.OB(O)c1ccc2cc(OCc3ccccc3)ccc2c1.OB(O)c1cccc(OCc2ccccc2)c1.OB(O)c1cccc2c1oc1ccccc12
InChIInChI=1S/C19H16BNO2.C17H15BO3.C13H13BO3.C12H9BO3.C10H11BN2O2.C10H10BNO2.3C10H15BO2.C9H9BN2O2.C8H8BF3O3.C8H7BO2S.2C7H6BNO2/c22-20(23)16-11-10-15-12-14-6-4-5-9-18(14)21(19(15)13-16)17-7-2-1-3-8-17;19-18(20)16-8-6-15-11-17(9-7-14(15)10-16)21-12-13-4-2-1-3-5-13;15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10;1-13-10(5-6-12-13)8-3-2-4-9(7-8)11(14)15;1-7-4-5-9-8(3-2-6-12-9)10(7)11(13)14;1-10(2,3)8-4-6-9(7-5-8)11(12)13;1-6-5-7(2)9(4)10(8(6)3)11(12)13;1-10(2,3)8-5-4-6-9(7-8)11(12)13;13-10(14)8-2-4-9(5-3-8)12-7-1-6-11-12;1-5-4-6(9(13)14)2-3-7(5)15-8(10,11)12;10-9(11)8-5-6-3-1-2-4-7(6)12-8;9-5-6-1-3-7(4-2-6)8(10)11;9-5-6-2-1-3-7(4-6)8(10)11/h1-11,13,22-23H,12H2;1-11,19-20H,12H2;1-9,15-16H,10H2;1-7,14-15H;2-7,14-15H,1H3;2-6,13-14H,1H3;4-7,12-13H,1-3H3;5,12-13H,1-4H3;4-7,12-13H,1-3H3;1-7,13-14H;2-4,13-14H,1H3;1-5,10-11H;2*1-4,10-11H
InChIKeyRJRQSOWXSQQAEQ-UHFFFAOYSA-N
XLogP8.15
TPSA706.62 Ų
H-Bond Donors28
H-Bond Acceptors41
Rotatable Bonds24
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002822.34
LogP ≤ 58.15
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
CID 158692160
CID 158692160
5-(8-Dibenzofuran-2-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-2-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9-phenylcarbazol-3-yl)phthalazin-5-yl]benzo[b]carbazole
CID 157996044
Cumene;2,6-dimethyl-3-propan-2-ylbenzonitrile;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-3-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylbenzonitrile;2-methyl-5-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-1-benzofuran;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine
CID 158042132
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
12-(1-Benzothiophen-3-yl)-11-(2-methylpyrazol-3-yl)-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaene;12-dibenzofuran-2-yl-7-phenyl-22-thia-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene;7-phenyl-12-pyridin-3-yl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene
CID 158321474
9-Azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene-4,5-dicarbonitrile;5-oxaoctacyclo[19.12.0.02,14.04,12.06,11.015,20.022,27.028,33]tritriaconta-1(21),2(14),3,6,8,10,12,15(20),16,18,22,24,26,28,30,32-hexadecaene-17,18-dicarbonitrile;11-oxaoctacyclo[19.12.0.02,14.04,12.05,10.015,20.022,27.028,33]tritriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24,26,28,30,32-hexadecaene-17,18-dicarbonitrile;pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaene-4,5-dicarbonitrile;5-thiaoctacyclo[19.12.0.02,14.04,12.06,11.015,20.022,27.028,33]tritriaconta-1(21),2(14),3,6,8,10,12,15(20),16,18,22,24,26,28,30,32-hexadecaene-17,18-dicarbonitrile;11-thiaoctacyclo[19.12.0.02,14.04,12.05,10.015,20.022,27.028,33]tritriaconta-1(21),2(14),3,5,7,9,12,15(20),16,18,22,24,26,28,30,32-hexadecaene-17,18-dicarbonitrile
CID 159180172
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
CID 159923980
CID 159923980
5-(8-Dibenzofuran-1-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-1-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9-phenylcarbazol-4-yl)phthalazin-5-yl]benzo[b]carbazole
CID 160139685
4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine
CID 162206770
Cumene;2,6-dimethyl-3-propan-2-ylbenzonitrile;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-6-methyl-3-propan-2-ylbenzonitrile;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-ylbenzonitrile;2-methyl-5-propan-2-ylfuran;1-methyl-3-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-1-benzofuran;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine
CID 164958335

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid?
The IUPAC name of 1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid (CID 160645185) is 1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid.
What is the SMILES notation for 1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid?
The canonical SMILES for 1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid is CC(C)(C)c1ccc(B(O)O)cc1.CC(C)(C)c1cccc(B(O)O)c1.Cc1cc(B(O)O)ccc1OC(F)(F)F.Cc1cc(C)c(C)c(B(O)O)c1C.Cc1ccc2ncccc2c1B(O)O.Cn1nccc1-c1cccc(B(O)O)c1.N#Cc1ccc(B(O)O)cc1.N#Cc1cccc(B(O)O)c1.OB(O)c1cc2ccccc2s1.OB(O)c1ccc(-n2cccn2)cc1.OB(O)c1ccc2c(c1)N(c1ccccc1)c1ccccc1C2.OB(O)c1ccc2cc(OCc3ccccc3)ccc2c1.OB(O)c1cccc(OCc2ccccc2)c1.OB(O)c1cccc2c1oc1ccccc12.
What is the InChIKey of 1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid?
The InChIKey is RJRQSOWXSQQAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BNO2.C17H15BO3.C13H13BO3.C12H9BO3.C10H11BN2O2.C10H10BNO2.3C10H15BO2.C9H9BN2O2.C8H8BF3O3.C8H7BO2S.2C7H6BNO2/c22-20(23)16-11-10-15-12-14-6-4-5-9-18(14)21(19(15)13-16)17-7-2-1-3-8-17;19-18(20)16-8-6-15-11-17(9-7-14(15)10-16)21-12-13-4-2-1-3-5-13;15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10;1-13-10(5-6-12-13)8-3-2-4-9(7-8)11(14)15;1-7-4-5-9-8(3-2-6-12-9)10(7)11(13)14;1-10(2,3)8-4-6-9(7-5-8)11(12)13;1-6-5-7(2)9(4)10(8(6)3)11(12)13;1-10(2,3)8-5-4-6-9(7-8)11(12)13;13-10(14)8-2-4-9(5-3-8)12-7-1-6-11-12;1-5-4-6(9(13)14)2-3-7(5)15-8(10,11)12;10-9(11)8-5-6-3-1-2-4-7(6)12-8;9-5-6-1-3-7(4-2-6)8(10)11;9-5-6-2-1-3-7(4-6)8(10)11/h1-11,13,22-23H,12H2;1-11,19-20H,12H2;1-9,15-16H,10H2;1-7,14-15H;2-7,14-15H,1H3;2-6,13-14H,1H3;4-7,12-13H,1-3H3;5,12-13H,1-4H3;4-7,12-13H,1-3H3;1-7,13-14H;2-4,13-14H,1H3;1-5,10-11H;2*1-4,10-11H.
What are the key properties of 1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid?
1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid has a molecular weight of 2822.34 g/mol, XLogP of 8.15, 24 rotatable bonds, 28 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-ylboronic acid;(3-tert-butylphenyl)boronic acid;(4-tert-butylphenyl)boronic acid;(3-cyanophenyl)boronic acid;(4-cyanophenyl)boronic acid;dibenzofuran-4-ylboronic acid;[3-(2-methylpyrazol-3-yl)phenyl]boronic acid;(6-methylquinolin-5-yl)boronic acid;[3-methyl-4-(trifluoromethoxy)phenyl]boronic acid;(10-phenyl-9H-acridin-3-yl)boronic acid;(6-phenylmethoxynaphthalen-2-yl)boronic acid;(3-phenylmethoxyphenyl)boronic acid;(4-pyrazol-1-ylphenyl)boronic acid;(2,3,5,6-tetramethylphenyl)boronic acid is sourced from PubChem (CID 160645185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).