3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile

C90H95Br2IN8O4Si2 — CID 161072366

IUPAC3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile
SMILESCC(C)(C)[Si](OCCCc1c[nH]c2ccc(Br)cc12)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCCc1c[nH]c2ccc(C#N)cc12)(c1ccccc1)c1ccccc1.N#Cc1ccc2[nH]cc(CCCI)c2c1.N#Cc1ccc2[nH]cc(CCCO)c2c1.OCCCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C28H30N2OSi.C27H30BrNOSi.C12H11IN2.C12H12N2O.C11H12BrNO/c1-28(2,3)32(24-12-6-4-7-13-24,25-14-8-5-9-15-25)31-18-10-11-23-21-30-27-17-16-22(20-29)19-26(23)27;1-27(2,3)31(23-12-6-4-7-13-23,24-14-8-5-9-15-24)30-18-10-11-21-20-29-26-17-16-22(28)19-25(21)26;13-5-1-2-10-8-15-12-4-3-9(7-14)6-11(10)12;13-7-9-3-4-12-11(6-9)10(8-14-12)2-1-5-15;12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-14/h4-9,12-17,19,21,30H,10-11,18H2,1-3H3;4-9,12-17,19-20,29H,10-11,18H2,1-3H3;3-4,6,8,15H,1-2,5H2;3-4,6,8,14-15H,1-2,5H2;3-4,6-7,13-14H,1-2,5H2
InChIKeyUEVCJYWVKBCHFM-UHFFFAOYSA-N
MW1695.69 g/mol
LogP20.22
Rot. Bonds23

About 3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile

3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile (PubChem CID 161072366) has the molecular formula C90H95Br2IN8O4Si2 and a molecular weight of 1695.69 g/mol. Its IUPAC name is 3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile
PubChem CID161072366
Molecular FormulaC90H95Br2IN8O4Si2
Molecular Weight1695.69 g/mol
Exact Mass1692.44
IUPAC Name3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile
SMILESCC(C)(C)[Si](OCCCc1c[nH]c2ccc(Br)cc12)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCCc1c[nH]c2ccc(C#N)cc12)(c1ccccc1)c1ccccc1.N#Cc1ccc2[nH]cc(CCCI)c2c1.N#Cc1ccc2[nH]cc(CCCO)c2c1.OCCCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C28H30N2OSi.C27H30BrNOSi.C12H11IN2.C12H12N2O.C11H12BrNO/c1-28(2,3)32(24-12-6-4-7-13-24,25-14-8-5-9-15-25)31-18-10-11-23-21-30-27-17-16-22(20-29)19-26(23)27;1-27(2,3)31(23-12-6-4-7-13-23,24-14-8-5-9-15-24)30-18-10-11-21-20-29-26-17-16-22(28)19-25(21)26;13-5-1-2-10-8-15-12-4-3-9(7-14)6-11(10)12;13-7-9-3-4-12-11(6-9)10(8-14-12)2-1-5-15;12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-14/h4-9,12-17,19,21,30H,10-11,18H2,1-3H3;4-9,12-17,19-20,29H,10-11,18H2,1-3H3;3-4,6,8,15H,1-2,5H2;3-4,6,8,14-15H,1-2,5H2;3-4,6-7,13-14H,1-2,5H2
InChIKeyUEVCJYWVKBCHFM-UHFFFAOYSA-N
XLogP20.22
TPSA209.24 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001695.69
LogP ≤ 520.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile with MolForge

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Related Compounds

5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane;methane
CID 159904496
5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;diethyl 2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioate;5-ethyl-1H-indole;1-(5-ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine;2-[(5-ethyl-1H-indol-3-yl)methyl]propanedioic acid;3-(5-ethyl-1H-indol-3-yl)propanoic acid;(5-ethylindol-1-yl)-tri(propan-2-yl)silane
CID 160433747
5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide
CID 162004752

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile (CID 161072366) is 3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile is CC(C)(C)[Si](OCCCc1c[nH]c2ccc(Br)cc12)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCCc1c[nH]c2ccc(C#N)cc12)(c1ccccc1)c1ccccc1.N#Cc1ccc2[nH]cc(CCCI)c2c1.N#Cc1ccc2[nH]cc(CCCO)c2c1.OCCCc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile?
The InChIKey is UEVCJYWVKBCHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2OSi.C27H30BrNOSi.C12H11IN2.C12H12N2O.C11H12BrNO/c1-28(2,3)32(24-12-6-4-7-13-24,25-14-8-5-9-15-25)31-18-10-11-23-21-30-27-17-16-22(20-29)19-26(23)27;1-27(2,3)31(23-12-6-4-7-13-23,24-14-8-5-9-15-24)30-18-10-11-21-20-29-26-17-16-22(28)19-25(21)26;13-5-1-2-10-8-15-12-4-3-9(7-14)6-11(10)12;13-7-9-3-4-12-11(6-9)10(8-14-12)2-1-5-15;12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-14/h4-9,12-17,19,21,30H,10-11,18H2,1-3H3;4-9,12-17,19-20,29H,10-11,18H2,1-3H3;3-4,6,8,15H,1-2,5H2;3-4,6,8,14-15H,1-2,5H2;3-4,6-7,13-14H,1-2,5H2.
What are the key properties of 3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile?
3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile has a molecular weight of 1695.69 g/mol, XLogP of 20.22, 23 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1H-indol-3-yl)propan-1-ol;3-(5-bromo-1H-indol-3-yl)propoxy-tert-butyl-diphenylsilane;3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1H-indole-5-carbonitrile;3-(3-hydroxypropyl)-1H-indole-5-carbonitrile;3-(3-iodopropyl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 161072366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).