(2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane

C69H66BF6IN6O4Si2 — CID 159822888

IUPAC(2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(-c3c(F)cccc3F)ccc21.C[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(I)ccc21.Fc1cccc(F)c1-c1ccc2[nH]nc(-c3ccccc3)c2c1.OB(O)c1c(F)cccc1F
InChIInChI=1S/C25H26F2N2OSi.C19H12F2N2.C19H23IN2OSi.C6H5BF2O2/c1-31(2,3)15-14-30-17-29-23-13-12-19(24-21(26)10-7-11-22(24)27)16-20(23)25(28-29)18-8-5-4-6-9-18;20-15-7-4-8-16(21)18(15)13-9-10-17-14(11-13)19(23-22-17)12-5-2-1-3-6-12;1-24(2,3)12-11-23-14-22-18-10-9-16(20)13-17(18)19(21-22)15-7-5-4-6-8-15;8-4-2-1-3-5(9)6(4)7(10)11/h4-13,16H,14-15,17H2,1-3H3;1-11H,(H,22,23);4-10,13H,11-12,14H2,1-3H3;1-3,10-11H
InChIKeyNMLUOPLJXBBGBV-UHFFFAOYSA-N
MW1351.20 g/mol
LogP17.40
Rot. Bonds16

About (2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane

(2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 159822888) has the molecular formula C69H66BF6IN6O4Si2 and a molecular weight of 1351.20 g/mol. Its IUPAC name is (2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name(2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID159822888
Molecular FormulaC69H66BF6IN6O4Si2
Molecular Weight1351.20 g/mol
Exact Mass1350.37
IUPAC Name(2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(-c3c(F)cccc3F)ccc21.C[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(I)ccc21.Fc1cccc(F)c1-c1ccc2[nH]nc(-c3ccccc3)c2c1.OB(O)c1c(F)cccc1F
InChIInChI=1S/C25H26F2N2OSi.C19H12F2N2.C19H23IN2OSi.C6H5BF2O2/c1-31(2,3)15-14-30-17-29-23-13-12-19(24-21(26)10-7-11-22(24)27)16-20(23)25(28-29)18-8-5-4-6-9-18;20-15-7-4-8-16(21)18(15)13-9-10-17-14(11-13)19(23-22-17)12-5-2-1-3-6-12;1-24(2,3)12-11-23-14-22-18-10-9-16(20)13-17(18)19(21-22)15-7-5-4-6-8-15;8-4-2-1-3-5(9)6(4)7(10)11/h4-13,16H,14-15,17H2,1-3H3;1-11H,(H,22,23);4-10,13H,11-12,14H2,1-3H3;1-3,10-11H
InChIKeyNMLUOPLJXBBGBV-UHFFFAOYSA-N
XLogP17.40
TPSA123.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.20
LogP ≤ 517.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-1-methyl-3-phenylindazole;methane;1-methyl-3-phenyl-5-[2-(trifluoromethyl)phenyl]indazole;molecular hydrogen;3-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole;[2-(trifluoromethyl)phenyl]boronic acid
CID 160867201
3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;ethane;1H-indazol-5-amine;5-iodo-1H-indazole;2-[(5-iodo-3-methylindazol-1-yl)methoxy]ethyl-trimethylsilane;[(E)-2-phenylethenyl]boronic acid
CID 157453403
2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;methylboronic acid;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
CID 157874231
3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid
CID 158333818
3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;ethane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid
CID 158557068
6,7-difluoro-5-phenyl-1H-indazol-3-amine;6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
CID 158688164
ethanol;6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
CID 159560582
3-N-methyl-3-N-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]benzene-1,3-diamine;3-N-methyl-3-N-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]benzene-1,3-diamine
CID 159921414
6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
CID 160450283
2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
CID 160481075
2-[[6-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;phenylboronic acid;trimethyl-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
CID 160508967
2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane;3-phenyl-5-pyridin-4-yl-1H-indazole;pyridin-4-ylboronic acid;trimethyl-[2-[(3-phenyl-5-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 160759986

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of (2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane (CID 159822888) is (2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for (2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for (2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(-c3c(F)cccc3F)ccc21.C[Si](C)(C)CCOCn1nc(-c2ccccc2)c2cc(I)ccc21.Fc1cccc(F)c1-c1ccc2[nH]nc(-c3ccccc3)c2c1.OB(O)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is NMLUOPLJXBBGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2OSi.C19H12F2N2.C19H23IN2OSi.C6H5BF2O2/c1-31(2,3)15-14-30-17-29-23-13-12-19(24-21(26)10-7-11-22(24)27)16-20(23)25(28-29)18-8-5-4-6-9-18;20-15-7-4-8-16(21)18(15)13-9-10-17-14(11-13)19(23-22-17)12-5-2-1-3-6-12;1-24(2,3)12-11-23-14-22-18-10-9-16(20)13-17(18)19(21-22)15-7-5-4-6-8-15;8-4-2-1-3-5(9)6(4)7(10)11/h4-13,16H,14-15,17H2,1-3H3;1-11H,(H,22,23);4-10,13H,11-12,14H2,1-3H3;1-3,10-11H.
What are the key properties of (2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane?
(2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 1351.20 g/mol, XLogP of 17.40, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)boronic acid;5-(2,6-difluorophenyl)-3-phenyl-1H-indazole;2-[[5-(2,6-difluorophenyl)-3-phenylindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(5-iodo-3-phenylindazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159822888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).