bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

C99H93BBr2F4N10O4Si2 — CID 158272025

IUPACbis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2ccc3c(c2)c(/C=C/c2ccccc2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(-c3cncc4cccc(F)c34)ccc21.Fc1cccc2cncc(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)c12.Fc1cccc2cncc(Br)c12.Fc1cccc2cncc(Br)c12
InChIInChI=1S/C30H30FN3OSi.C27H37BN2O3Si.C24H16FN3.2C9H5BrFN/c1-36(2,3)17-16-35-21-34-29-15-13-23(26-20-32-19-24-10-7-11-27(31)30(24)26)18-25(29)28(33-34)14-12-22-8-5-4-6-9-22;1-26(2)27(3,4)33-28(32-26)22-14-16-25-23(19-22)24(15-13-21-11-9-8-10-12-21)29-30(25)20-31-17-18-34(5,6)7;25-21-8-4-7-18-14-26-15-20(24(18)21)17-10-12-23-19(13-17)22(27-28-23)11-9-16-5-2-1-3-6-16;2*10-7-5-12-4-6-2-1-3-8(11)9(6)7/h4-15,18-20H,16-17,21H2,1-3H3;8-16,19H,17-18,20H2,1-7H3;1-15H,(H,27,28);2*1-5H/b14-12+;15-13+;11-9+;;
InChIKeyGJDREGZHAABGAN-ASOJIULXSA-N
MW1789.68 g/mol
LogP26.05
Rot. Bonds19

About bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (PubChem CID 158272025) has the molecular formula C99H93BBr2F4N10O4Si2 and a molecular weight of 1789.68 g/mol. Its IUPAC name is bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Namebis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
PubChem CID158272025
Molecular FormulaC99H93BBr2F4N10O4Si2
Molecular Weight1789.68 g/mol
Exact Mass1786.53
IUPAC Namebis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2ccc3c(c2)c(/C=C/c2ccccc2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(-c3cncc4cccc(F)c34)ccc21.Fc1cccc2cncc(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)c12.Fc1cccc2cncc(Br)c12.Fc1cccc2cncc(Br)c12
InChIInChI=1S/C30H30FN3OSi.C27H37BN2O3Si.C24H16FN3.2C9H5BrFN/c1-36(2,3)17-16-35-21-34-29-15-13-23(26-20-32-19-24-10-7-11-27(31)30(24)26)18-25(29)28(33-34)14-12-22-8-5-4-6-9-22;1-26(2)27(3,4)33-28(32-26)22-14-16-25-23(19-22)24(15-13-21-11-9-8-10-12-21)29-30(25)20-31-17-18-34(5,6)7;25-21-8-4-7-18-14-26-15-20(24(18)21)17-10-12-23-19(13-17)22(27-28-23)11-9-16-5-2-1-3-6-16;2*10-7-5-12-4-6-2-1-3-8(11)9(6)7/h4-15,18-20H,16-17,21H2,1-3H3;8-16,19H,17-18,20H2,1-7H3;1-15H,(H,27,28);2*1-5H/b14-12+;15-13+;11-9+;;
InChIKeyGJDREGZHAABGAN-ASOJIULXSA-N
XLogP26.05
TPSA152.80 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001789.68
LogP ≤ 526.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane with MolForge

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Related Compounds

3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 157464759
4-chloro-3-ethyl-5-iodopyridine;5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;2-[[5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-iodopyridine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 157557315
4-bromo-5-fluoroisoquinoline;4-bromoisoquinolin-5-amine;5-fluoro-4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]isoquinoline;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 157775922
4-bromo-3-methylpyridine;1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 157825809
1,5-dimethyl-3-[(E)-2-phenylethenyl]indazole;methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]isoquinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline
CID 157845667
5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;2-[[5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(4-chloro-3-iodopyridine);trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 157920025
2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-isoquinolin-4-yl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 158033194
3-bromo-4-methylpyridine;1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 158090129
methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline
CID 158423439
4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 159344079
4-bromo-5-fluoroisoquinoline;4-bromoisoquinolin-5-amine;2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 159707023
4-bromoisoquinolin-8-amine;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]isoquinolin-8-amine;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine
CID 160037011

Frequently Asked Questions

What is the IUPAC name of bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (CID 158272025) is bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is CC1(C)OB(c2ccc3c(c2)c(/C=C/c2ccccc2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(-c3cncc4cccc(F)c34)ccc21.Fc1cccc2cncc(-c3ccc4[nH]nc(/C=C/c5ccccc5)c4c3)c12.Fc1cccc2cncc(Br)c12.Fc1cccc2cncc(Br)c12.
What is the InChIKey of bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is GJDREGZHAABGAN-ASOJIULXSA-N. The full InChI is InChI=1S/C30H30FN3OSi.C27H37BN2O3Si.C24H16FN3.2C9H5BrFN/c1-36(2,3)17-16-35-21-34-29-15-13-23(26-20-32-19-24-10-7-11-27(31)30(24)26)18-25(29)28(33-34)14-12-22-8-5-4-6-9-22;1-26(2)27(3,4)33-28(32-26)22-14-16-25-23(19-22)24(15-13-21-11-9-8-10-12-21)29-30(25)20-31-17-18-34(5,6)7;25-21-8-4-7-18-14-26-15-20(24(18)21)17-10-12-23-19(13-17)22(27-28-23)11-9-16-5-2-1-3-6-16;2*10-7-5-12-4-6-2-1-3-8(11)9(6)7/h4-15,18-20H,16-17,21H2,1-3H3;8-16,19H,17-18,20H2,1-7H3;1-15H,(H,27,28);2*1-5H/b14-12+;15-13+;11-9+;;.
What are the key properties of bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 1789.68 g/mol, XLogP of 26.05, 19 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 158272025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).