3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid

C89H89BI5N13O2 — CID 158206354

IUPAC3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid
SMILESC.C.C.C.C.C(=C/c1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)\c1ccccc1.Cn1nc(/C=C/c2ccccc2)c2cc(/C=C/c3ccccc3)ccc21.Cn1nc(I)c2cc(I)ccc21.Ic1ccc2[nH]ncc2c1.Ic1ccc2n[nH]c(I)c2c1.Nc1ccc2[nH]ncc2c1.OB(O)/C=C/c1ccccc1
InChIInChI=1S/C24H20N2.C23H18N2.C8H9BO2.C8H6I2N2.C7H4I2N2.C7H5IN2.C7H7N3.5CH4/c1-26-24-17-15-21(13-12-19-8-4-2-5-9-19)18-22(24)23(25-26)16-14-20-10-6-3-7-11-20;1-3-7-18(8-4-1)11-12-20-14-16-23-21(17-20)22(24-25-23)15-13-19-9-5-2-6-10-19;10-9(11)7-6-8-4-2-1-3-5-8;1-12-7-3-2-5(9)4-6(7)8(10)11-12;8-4-1-2-6-5(3-4)7(9)11-10-6;2*8-6-1-2-7-5(3-6)4-9-10-7;;;;;/h2-18H,1H3;1-17H,(H,24,25);1-7,10-11H;2-4H,1H3;1-3H,(H,10,11);1-4H,(H,9,10);1-4H,8H2,(H,9,10);5*1H4/b13-12+,16-14+;12-11+,15-13+;7-6+;;;;;;;;;
InChIKeyGBNSFGWOMXFUOB-GXPSLAFDSA-N
MW2018.11 g/mol
LogP24.58
Rot. Bonds10

About 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid

3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid (PubChem CID 158206354) has the molecular formula C89H89BI5N13O2 and a molecular weight of 2018.11 g/mol. Its IUPAC name is 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid.

Molecular Properties

Compound Name3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid
PubChem CID158206354
Molecular FormulaC89H89BI5N13O2
Molecular Weight2018.11 g/mol
Exact Mass2017.26
IUPAC Name3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid
SMILESC.C.C.C.C.C(=C/c1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)\c1ccccc1.Cn1nc(/C=C/c2ccccc2)c2cc(/C=C/c3ccccc3)ccc21.Cn1nc(I)c2cc(I)ccc21.Ic1ccc2[nH]ncc2c1.Ic1ccc2n[nH]c(I)c2c1.Nc1ccc2[nH]ncc2c1.OB(O)/C=C/c1ccccc1
InChIInChI=1S/C24H20N2.C23H18N2.C8H9BO2.C8H6I2N2.C7H4I2N2.C7H5IN2.C7H7N3.5CH4/c1-26-24-17-15-21(13-12-19-8-4-2-5-9-19)18-22(24)23(25-26)16-14-20-10-6-3-7-11-20;1-3-7-18(8-4-1)11-12-20-14-16-23-21(17-20)22(24-25-23)15-13-19-9-5-2-6-10-19;10-9(11)7-6-8-4-2-1-3-5-8;1-12-7-3-2-5(9)4-6(7)8(10)11-12;8-4-1-2-6-5(3-4)7(9)11-10-6;2*8-6-1-2-7-5(3-6)4-9-10-7;;;;;/h2-18H,1H3;1-17H,(H,24,25);1-7,10-11H;2-4H,1H3;1-3H,(H,10,11);1-4H,(H,9,10);1-4H,8H2,(H,9,10);5*1H4/b13-12+,16-14+;12-11+,15-13+;7-6+;;;;;;;;;
InChIKeyGBNSFGWOMXFUOB-GXPSLAFDSA-N
XLogP24.58
TPSA216.84 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002018.11
LogP ≤ 524.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'stilbene', '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
1-iodo-4-methylbenzene;bis(3-methyl-1-(4-methylphenyl)pyrazole);(4-methylphenyl)boronic acid;bis(5-methyl-1H-pyrazole)
CID 157191205
1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole
CID 157358686
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
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
3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole
CID 159123882
6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole
CID 159291520
bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole)
CID 159369515
5-iodo-1-methyl-3-phenylindazole;methane;1-methyl-3-phenyl-5-pyridin-4-ylindazole;molecular hydrogen;3-phenyl-5-pyridin-3-yl-1H-indazole;pyridin-3-ylboronic acid
CID 159939115
5-chloro-3-iodo-2H-indazole;2-[(5-chloro-3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-[[5-chloro-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;1H-indazol-5-amine;methane;phenylboronic acid;[(E)-2-phenylethenyl]boronic acid;trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
CID 160587781
1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;6,7-dimethyl-1H-indazole
CID 160592420

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid?
The IUPAC name of 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid (CID 158206354) is 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid.
What is the SMILES notation for 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid?
The canonical SMILES for 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid is C.C.C.C.C.C(=C/c1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)\c1ccccc1.Cn1nc(/C=C/c2ccccc2)c2cc(/C=C/c3ccccc3)ccc21.Cn1nc(I)c2cc(I)ccc21.Ic1ccc2[nH]ncc2c1.Ic1ccc2n[nH]c(I)c2c1.Nc1ccc2[nH]ncc2c1.OB(O)/C=C/c1ccccc1.
What is the InChIKey of 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid?
The InChIKey is GBNSFGWOMXFUOB-GXPSLAFDSA-N. The full InChI is InChI=1S/C24H20N2.C23H18N2.C8H9BO2.C8H6I2N2.C7H4I2N2.C7H5IN2.C7H7N3.5CH4/c1-26-24-17-15-21(13-12-19-8-4-2-5-9-19)18-22(24)23(25-26)16-14-20-10-6-3-7-11-20;1-3-7-18(8-4-1)11-12-20-14-16-23-21(17-20)22(24-25-23)15-13-19-9-5-2-6-10-19;10-9(11)7-6-8-4-2-1-3-5-8;1-12-7-3-2-5(9)4-6(7)8(10)11-12;8-4-1-2-6-5(3-4)7(9)11-10-6;2*8-6-1-2-7-5(3-6)4-9-10-7;;;;;/h2-18H,1H3;1-17H,(H,24,25);1-7,10-11H;2-4H,1H3;1-3H,(H,10,11);1-4H,(H,9,10);1-4H,8H2,(H,9,10);5*1H4/b13-12+,16-14+;12-11+,15-13+;7-6+;;;;;;;;;.
What are the key properties of 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid?
3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid has a molecular weight of 2018.11 g/mol, XLogP of 24.58, 10 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;3,5-diiodo-2H-indazole;3,5-diiodo-1-methylindazole;1H-indazol-5-amine;5-iodo-1H-indazole;methane;1-methyl-3,5-bis[(E)-2-phenylethenyl]indazole;[(E)-2-phenylethenyl]boronic acid is sourced from PubChem (CID 158206354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).