2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline

C179H124B2Br4Cl2N14O6S6 — CID 163581195

IUPAC2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
SMILESBrc1ccc(-c2nc3ccccc3c3sc4ccccc4c23)cc1.CC1(C)OB(c2ccc(-c3nc4ccccc4c4sc5ccccc5c34)cc2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1.Nc1ccccc1-c1cc2ccccc2s1.Nc1ccccc1Br.O=C(Cl)c1ccc(Br)cc1.O=C(Nc1ccccc1-c1cc2ccccc2s1)c1ccc(Br)cc1.OB(O)c1cc2ccccc2s1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C48H29N5S.C27H24BNO2S.C27H17ClN4.C21H14BrNOS.C21H12BrNS.C14H11NS.C8H7BO2S.C7H4BrClO.C6H6BrN/c1-2-12-31(13-3-1)46-50-47(52-48(51-46)33-26-28-34(29-27-33)53-40-19-9-5-14-35(40)36-15-6-10-20-41(36)53)32-24-22-30(23-25-32)44-43-38-17-7-11-21-42(38)54-45(43)37-16-4-8-18-39(37)49-44;1-26(2)27(3,4)31-28(30-26)18-15-13-17(14-16-18)24-23-20-10-6-8-12-22(20)32-25(23)19-9-5-7-11-21(19)29-24;28-27-30-25(18-8-2-1-3-9-18)29-26(31-27)19-14-16-20(17-15-19)32-23-12-6-4-10-21(23)22-11-5-7-13-24(22)32;22-16-11-9-14(10-12-16)21(24)23-18-7-3-2-6-17(18)20-13-15-5-1-4-8-19(15)25-20;22-14-11-9-13(10-12-14)20-19-16-6-2-4-8-18(16)24-21(19)15-5-1-3-7-17(15)23-20;15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14;10-9(11)8-5-6-3-1-2-4-7(6)12-8;8-6-3-1-5(2-4-6)7(9)10;7-5-3-1-2-4-6(5)8/h1-29H;5-16H,1-4H3;1-17H;1-13H,(H,23,24);1-12H;1-9H,15H2;1-5,10-11H;1-4H;1-4H,8H2
InChIKeyGHQYNCAHIGDMBD-UHFFFAOYSA-N
MW3171.60 g/mol
LogP49.28
Rot. Bonds17

About 2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline

2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline (PubChem CID 163581195) has the molecular formula C179H124B2Br4Cl2N14O6S6 and a molecular weight of 3171.60 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
PubChem CID163581195
Molecular FormulaC179H124B2Br4Cl2N14O6S6
Molecular Weight3171.60 g/mol
Exact Mass3164.44
IUPAC Name2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
SMILESBrc1ccc(-c2nc3ccccc3c3sc4ccccc4c23)cc1.CC1(C)OB(c2ccc(-c3nc4ccccc4c4sc5ccccc5c34)cc2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1.Nc1ccccc1-c1cc2ccccc2s1.Nc1ccccc1Br.O=C(Cl)c1ccc(Br)cc1.O=C(Nc1ccccc1-c1cc2ccccc2s1)c1ccc(Br)cc1.OB(O)c1cc2ccccc2s1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C48H29N5S.C27H24BNO2S.C27H17ClN4.C21H14BrNOS.C21H12BrNS.C14H11NS.C8H7BO2S.C7H4BrClO.C6H6BrN/c1-2-12-31(13-3-1)46-50-47(52-48(51-46)33-26-28-34(29-27-33)53-40-19-9-5-14-35(40)36-15-6-10-20-41(36)53)32-24-22-30(23-25-32)44-43-38-17-7-11-21-42(38)54-45(43)37-16-4-8-18-39(37)49-44;1-26(2)27(3,4)31-28(30-26)18-15-13-17(14-16-18)24-23-20-10-6-8-12-22(20)32-25(23)19-9-5-7-11-21(19)29-24;28-27-30-25(18-8-2-1-3-9-18)29-26(31-27)19-14-16-20(17-15-19)32-23-12-6-4-10-21(23)22-11-5-7-13-24(22)32;22-16-11-9-14(10-12-16)21(24)23-18-7-3-2-6-17(18)20-13-15-5-1-4-8-19(15)25-20;22-14-11-9-13(10-12-14)20-19-16-6-2-4-8-18(16)24-21(19)15-5-1-3-7-17(15)23-20;15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14;10-9(11)8-5-6-3-1-2-4-7(6)12-8;8-6-3-1-5(2-4-6)7(9)10;7-5-3-1-2-4-6(5)8/h1-29H;5-16H,1-4H3;1-17H;1-13H,(H,23,24);1-12H;1-9H,15H2;1-5,10-11H;1-4H;1-4H,8H2
InChIKeyGHQYNCAHIGDMBD-UHFFFAOYSA-N
XLogP49.28
TPSA283.00 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003171.60
LogP ≤ 549.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline with MolForge

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Related Compounds

CID 158290177
CID 158290177
CID 159289381
CID 159289381
aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine;4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 161477655
6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1]benzothiolo[3,2-c]quinoline
CID 159434789
2-chloro-4-[3-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2,4-dichloro-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-(9-phenylcarbazol-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;9-phenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 157404500
2-bromoaniline;bromobenzene;3-bromobenzoyl chloride;3-bromo-N-(2-dibenzofuran-4-ylphenyl)benzamide;2-dibenzofuran-4-ylaniline;dibenzofuran-4-ylboronic acid;methane;14-methyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;iodide
CID 165107693
3-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline
CID 146498567
2-bromoaniline;bromobenzene;3-bromobenzoyl chloride;3-bromo-N-(2-dibenzofuran-4-ylphenyl)benzamide;2-dibenzofuran-4-ylaniline;dibenzofuran-4-ylboronic acid;methane;14-methyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;iodide
CID 164956787
CID 165068193
CID 165068193
2-(4-bromo-2,1,3-benzothiadiazol-7-yl)aniline;N-[2-(4-bromo-2,1,3-benzothiadiazol-7-yl)phenyl]benzamide;4-bromo-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4,7-dibromo-2,1,3-benzothiadiazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 167598660
9-[7-[4-[[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]methyl]-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl]dibenzofuran-3-yl]carbazole
CID 174073046
2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane
CID 160784748

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline?
The IUPAC name of 2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline (CID 163581195) is 2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline?
The canonical SMILES for 2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline is Brc1ccc(-c2nc3ccccc3c3sc4ccccc4c23)cc1.CC1(C)OB(c2ccc(-c3nc4ccccc4c4sc5ccccc5c34)cc2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1.Nc1ccccc1-c1cc2ccccc2s1.Nc1ccccc1Br.O=C(Cl)c1ccc(Br)cc1.O=C(Nc1ccccc1-c1cc2ccccc2s1)c1ccc(Br)cc1.OB(O)c1cc2ccccc2s1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline?
The InChIKey is GHQYNCAHIGDMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5S.C27H24BNO2S.C27H17ClN4.C21H14BrNOS.C21H12BrNS.C14H11NS.C8H7BO2S.C7H4BrClO.C6H6BrN/c1-2-12-31(13-3-1)46-50-47(52-48(51-46)33-26-28-34(29-27-33)53-40-19-9-5-14-35(40)36-15-6-10-20-41(36)53)32-24-22-30(23-25-32)44-43-38-17-7-11-21-42(38)54-45(43)37-16-4-8-18-39(37)49-44;1-26(2)27(3,4)31-28(30-26)18-15-13-17(14-16-18)24-23-20-10-6-8-12-22(20)32-25(23)19-9-5-7-11-21(19)29-24;28-27-30-25(18-8-2-1-3-9-18)29-26(31-27)19-14-16-20(17-15-19)32-23-12-6-4-10-21(23)22-11-5-7-13-24(22)32;22-16-11-9-14(10-12-16)21(24)23-18-7-3-2-6-17(18)20-13-15-5-1-4-8-19(15)25-20;22-14-11-9-13(10-12-14)20-19-16-6-2-4-8-18(16)24-21(19)15-5-1-3-7-17(15)23-20;15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14;10-9(11)8-5-6-3-1-2-4-7(6)12-8;8-6-3-1-5(2-4-6)7(9)10;7-5-3-1-2-4-6(5)8/h1-29H;5-16H,1-4H3;1-17H;1-13H,(H,23,24);1-12H;1-9H,15H2;1-5,10-11H;1-4H;1-4H,8H2.
What are the key properties of 2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline?
2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline has a molecular weight of 3171.60 g/mol, XLogP of 49.28, 17 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)aniline;1-benzothiophen-2-ylboronic acid;N-[2-(1-benzothiophen-2-yl)phenyl]-4-bromobenzamide;2-bromoaniline;4-bromobenzoyl chloride;6-(4-bromophenyl)-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline;9-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline is sourced from PubChem (CID 163581195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).