5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid

C110H82BBr4N11O10 — CID 161015600

IUPAC5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid
SMILESBrc1ccc(-c2ccc3[nH]ccc3c2)cc1.COc1cccc(O)c1-c1ccc(-c2ccc3[nH]cc(C(N)=O)c3c2)cc1.N#Cc1c[nH]c2ccc(-c3ccc(Br)cc3)cc12.NC(=O)c1c[nH]c2ccc(-c3ccc(-c4c(O)cccc4O)cc3)cc12.NC(=O)c1c[nH]c2ccc(-c3ccc(Br)cc3)cc12.O=Cc1c[nH]c2ccc(-c3ccc(Br)cc3)cc12.OB(O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C22H18N2O3.C21H16N2O3.C15H11BrN2O.C15H9BrN2.C15H10BrNO.C14H10BrN.C8H8BNO2/c1-27-20-4-2-3-19(25)21(20)14-7-5-13(6-8-14)15-9-10-18-16(11-15)17(12-24-18)22(23)26;22-21(26)16-11-23-17-9-8-14(10-15(16)17)12-4-6-13(7-5-12)20-18(24)2-1-3-19(20)25;16-11-4-1-9(2-5-11)10-3-6-14-12(7-10)13(8-18-14)15(17)19;16-13-4-1-10(2-5-13)11-3-6-15-14(7-11)12(8-17)9-18-15;16-13-4-1-10(2-5-13)11-3-6-15-14(7-11)12(9-18)8-17-15;15-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-16-14;11-9(12)7-1-2-8-6(5-7)3-4-10-8/h2-12,24-25H,1H3,(H2,23,26);1-11,23-25H,(H2,22,26);1-8,18H,(H2,17,19);1-7,9,18H;1-9,17H;1-9,16H;1-5,10-12H
InChIKeyTXRIJUILHVPNBN-UHFFFAOYSA-N
MW2048.36 g/mol
LogP25.35
Rot. Bonds14

About 5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid

5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid (PubChem CID 161015600) has the molecular formula C110H82BBr4N11O10 and a molecular weight of 2048.36 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid.

Molecular Properties

Compound Name5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid
PubChem CID161015600
Molecular FormulaC110H82BBr4N11O10
Molecular Weight2048.36 g/mol
Exact Mass2043.31
IUPAC Name5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid
SMILESBrc1ccc(-c2ccc3[nH]ccc3c2)cc1.COc1cccc(O)c1-c1ccc(-c2ccc3[nH]cc(C(N)=O)c3c2)cc1.N#Cc1c[nH]c2ccc(-c3ccc(Br)cc3)cc12.NC(=O)c1c[nH]c2ccc(-c3ccc(-c4c(O)cccc4O)cc3)cc12.NC(=O)c1c[nH]c2ccc(-c3ccc(Br)cc3)cc12.O=Cc1c[nH]c2ccc(-c3ccc(Br)cc3)cc12.OB(O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C22H18N2O3.C21H16N2O3.C15H11BrN2O.C15H9BrN2.C15H10BrNO.C14H10BrN.C8H8BNO2/c1-27-20-4-2-3-19(25)21(20)14-7-5-13(6-8-14)15-9-10-18-16(11-15)17(12-24-18)22(23)26;22-21(26)16-11-23-17-9-8-14(10-15(16)17)12-4-6-13(7-5-12)20-18(24)2-1-3-19(20)25;16-11-4-1-9(2-5-11)10-3-6-14-12(7-10)13(8-18-14)15(17)19;16-13-4-1-10(2-5-13)11-3-6-15-14(7-11)12(8-17)9-18-15;16-13-4-1-10(2-5-13)11-3-6-15-14(7-11)12(9-18)8-17-15;15-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-16-14;11-9(12)7-1-2-8-6(5-7)3-4-10-8/h2-12,24-25H,1H3,(H2,23,26);1-11,23-25H,(H2,22,26);1-8,18H,(H2,17,19);1-7,9,18H;1-9,17H;1-9,16H;1-5,10-12H
InChIKeyTXRIJUILHVPNBN-UHFFFAOYSA-N
XLogP25.35
TPSA391.04 Ų
H-Bond Donors15
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002048.36
LogP ≤ 525.35
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid with MolForge

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Related Compounds

4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate
CID 159239639
5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid
CID 159739781
5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;bis(5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxamide);1H-indol-5-ylboronic acid
CID 160929934
5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carbonitrile;5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carbonitrile;1H-indol-5-ylboronic acid
CID 161709497

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid?
The IUPAC name of 5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid (CID 161015600) is 5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid.
What is the SMILES notation for 5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid?
The canonical SMILES for 5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid is Brc1ccc(-c2ccc3[nH]ccc3c2)cc1.COc1cccc(O)c1-c1ccc(-c2ccc3[nH]cc(C(N)=O)c3c2)cc1.N#Cc1c[nH]c2ccc(-c3ccc(Br)cc3)cc12.NC(=O)c1c[nH]c2ccc(-c3ccc(-c4c(O)cccc4O)cc3)cc12.NC(=O)c1c[nH]c2ccc(-c3ccc(Br)cc3)cc12.O=Cc1c[nH]c2ccc(-c3ccc(Br)cc3)cc12.OB(O)c1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid?
The InChIKey is TXRIJUILHVPNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3.C21H16N2O3.C15H11BrN2O.C15H9BrN2.C15H10BrNO.C14H10BrN.C8H8BNO2/c1-27-20-4-2-3-19(25)21(20)14-7-5-13(6-8-14)15-9-10-18-16(11-15)17(12-24-18)22(23)26;22-21(26)16-11-23-17-9-8-14(10-15(16)17)12-4-6-13(7-5-12)20-18(24)2-1-3-19(20)25;16-11-4-1-9(2-5-11)10-3-6-14-12(7-10)13(8-18-14)15(17)19;16-13-4-1-10(2-5-13)11-3-6-15-14(7-11)12(8-17)9-18-15;16-13-4-1-10(2-5-13)11-3-6-15-14(7-11)12(9-18)8-17-15;15-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-16-14;11-9(12)7-1-2-8-6(5-7)3-4-10-8/h2-12,24-25H,1H3,(H2,23,26);1-11,23-25H,(H2,22,26);1-8,18H,(H2,17,19);1-7,9,18H;1-9,17H;1-9,16H;1-5,10-12H.
What are the key properties of 5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid?
5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid has a molecular weight of 2048.36 g/mol, XLogP of 25.35, 14 rotatable bonds, 15 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2-hydroxy-6-methoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid is sourced from PubChem (CID 161015600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).