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

C113H88BBr4N11O10 — CID 160929934

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;bis(5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxamide);1H-indol-5-ylboronic acid
SMILESBrc1ccc(-c2ccc3[nH]ccc3c2)cc1.COc1cccc(OC)c1-c1ccc(-c2ccc3[nH]cc(C(N)=O)c3c2)cc1.COc1cccc(OC)c1-c1ccc(-c2ccc3[nH]cc(C(N)=O)c3c2)cc1.N#Cc1c[nH]c2ccc(-c3ccc(Br)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/2C23H20N2O3.C15H11BrN2O.C15H9BrN2.C15H10BrNO.C14H10BrN.C8H8BNO2/c2*1-27-20-4-3-5-21(28-2)22(20)15-8-6-14(7-9-15)16-10-11-19-17(12-16)18(13-25-19)23(24)26;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*3-13,25H,1-2H3,(H2,24,26);1-8,18H,(H2,17,19);1-7,9,18H;1-9,17H;1-9,16H;1-5,10-12H
InChIKeySTCZKPDRGJABRB-UHFFFAOYSA-N
MW2090.44 g/mol
LogP26.26
Rot. Bonds17

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;bis(5-[4-(2,6-dimethoxyphenyl)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;bis(5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxamide);1H-indol-5-ylboronic acid (PubChem CID 160929934) has the molecular formula C113H88BBr4N11O10 and a molecular weight of 2090.44 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;bis(5-[4-(2,6-dimethoxyphenyl)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;bis(5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxamide);1H-indol-5-ylboronic acid
PubChem CID160929934
Molecular FormulaC113H88BBr4N11O10
Molecular Weight2090.44 g/mol
Exact Mass2085.35
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;bis(5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxamide);1H-indol-5-ylboronic acid
SMILESBrc1ccc(-c2ccc3[nH]ccc3c2)cc1.COc1cccc(OC)c1-c1ccc(-c2ccc3[nH]cc(C(N)=O)c3c2)cc1.COc1cccc(OC)c1-c1ccc(-c2ccc3[nH]cc(C(N)=O)c3c2)cc1.N#Cc1c[nH]c2ccc(-c3ccc(Br)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/2C23H20N2O3.C15H11BrN2O.C15H9BrN2.C15H10BrNO.C14H10BrN.C8H8BNO2/c2*1-27-20-4-3-5-21(28-2)22(20)15-8-6-14(7-9-15)16-10-11-19-17(12-16)18(13-25-19)23(24)26;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*3-13,25H,1-2H3,(H2,24,26);1-8,18H,(H2,17,19);1-7,9,18H;1-9,17H;1-9,16H;1-5,10-12H
InChIKeySTCZKPDRGJABRB-UHFFFAOYSA-N
XLogP26.26
TPSA358.04 Ų
H-Bond Donors12
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002090.44
LogP ≤ 526.26
H-Bond Donors ≤ 512
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;bis(5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxamide);1H-indol-5-ylboronic acid with MolForge

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Related Compounds

methyl 5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxylate
CID 90353210
2-cyano-5-formyl-4-methoxybenzamide
CID 171012907
3-(3-formyl-1H-indol-5-yl)benzoic acid
CID 4186391
(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone
CID 43162092
(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368763
1H-indol-5-ylboronic acid;5-(1H-indol-5-yl)pyridin-2-amine
CID 160976696
5-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 4186285
3-(1H-indol-5-yl)-4,5-dimethoxybenzonitrile
CID 39231418
5-(1H-indol-5-yl)-2,3,4-trimethoxybenzoic acid
CID 155912985
(Z)-3-(5-bromo-1H-indol-3-yl)-2-cyanoprop-2-enamide
CID 951959
3-(5-bromo-1H-indol-3-yl)-2-cyanoprop-2-enamide
CID 3150781
3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 161470637

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;bis(5-[4-(2,6-dimethoxyphenyl)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;bis(5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxamide);1H-indol-5-ylboronic acid (CID 160929934) 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;bis(5-[4-(2,6-dimethoxyphenyl)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;bis(5-[4-(2,6-dimethoxyphenyl)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;bis(5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxamide);1H-indol-5-ylboronic acid is Brc1ccc(-c2ccc3[nH]ccc3c2)cc1.COc1cccc(OC)c1-c1ccc(-c2ccc3[nH]cc(C(N)=O)c3c2)cc1.COc1cccc(OC)c1-c1ccc(-c2ccc3[nH]cc(C(N)=O)c3c2)cc1.N#Cc1c[nH]c2ccc(-c3ccc(Br)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;bis(5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxamide);1H-indol-5-ylboronic acid?
The InChIKey is STCZKPDRGJABRB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20N2O3.C15H11BrN2O.C15H9BrN2.C15H10BrNO.C14H10BrN.C8H8BNO2/c2*1-27-20-4-3-5-21(28-2)22(20)15-8-6-14(7-9-15)16-10-11-19-17(12-16)18(13-25-19)23(24)26;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*3-13,25H,1-2H3,(H2,24,26);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;bis(5-[4-(2,6-dimethoxyphenyl)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;bis(5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxamide);1H-indol-5-ylboronic acid has a molecular weight of 2090.44 g/mol, XLogP of 26.26, 17 rotatable bonds, 12 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;bis(5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxamide);1H-indol-5-ylboronic acid is sourced from PubChem (CID 160929934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).