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

C97H102BI4N13O4Si2 — CID 157453403

IUPAC3,5-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
SMILESC(=C/c1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)\c1ccccc1.CC.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(/C=C/c3ccccc3)ccc21.Cc1nn(COCC[Si](C)(C)C)c2ccc(I)cc12.Ic1ccc2[nH]ncc2c1.Ic1ccc2n[nH]c(I)c2c1.Nc1ccc2[nH]ncc2c1.OB(O)/C=C/c1ccccc1
InChIInChI=1S/C29H32N2OSi.C23H18N2.C14H21IN2OSi.C8H9BO2.C7H4I2N2.C7H5IN2.C7H7N3.C2H6/c1-33(2,3)21-20-32-23-31-29-19-17-26(15-14-24-10-6-4-7-11-24)22-27(29)28(30-31)18-16-25-12-8-5-9-13-25;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;1-11-13-9-12(15)5-6-14(13)17(16-11)10-18-7-8-19(2,3)4;10-9(11)7-6-8-4-2-1-3-5-8;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;1-2/h4-19,22H,20-21,23H2,1-3H3;1-17H,(H,24,25);5-6,9H,7-8,10H2,1-4H3;1-7,10-11H;1-3H,(H,10,11);1-4H,(H,9,10);1-4H,8H2,(H,9,10);1-2H3/b15-14+,18-16+;12-11+,15-13+;;7-6+;;;;
InChIKeyBTBGAVBYUQBIAA-RJFLKOGTSA-N
MW2088.57 g/mol
LogP25.68
Rot. Bonds20

About 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

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 (PubChem CID 157453403) has the molecular formula C97H102BI4N13O4Si2 and a molecular weight of 2088.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,5-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
PubChem CID157453403
Molecular FormulaC97H102BI4N13O4Si2
Molecular Weight2088.57 g/mol
Exact Mass2087.40
IUPAC Name3,5-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
SMILESC(=C/c1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)\c1ccccc1.CC.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(/C=C/c3ccccc3)ccc21.Cc1nn(COCC[Si](C)(C)C)c2ccc(I)cc12.Ic1ccc2[nH]ncc2c1.Ic1ccc2n[nH]c(I)c2c1.Nc1ccc2[nH]ncc2c1.OB(O)/C=C/c1ccccc1
InChIInChI=1S/C29H32N2OSi.C23H18N2.C14H21IN2OSi.C8H9BO2.C7H4I2N2.C7H5IN2.C7H7N3.C2H6/c1-33(2,3)21-20-32-23-31-29-19-17-26(15-14-24-10-6-4-7-11-24)22-27(29)28(30-31)18-16-25-12-8-5-9-13-25;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;1-11-13-9-12(15)5-6-14(13)17(16-11)10-18-7-8-19(2,3)4;10-9(11)7-6-8-4-2-1-3-5-8;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;1-2/h4-19,22H,20-21,23H2,1-3H3;1-17H,(H,24,25);5-6,9H,7-8,10H2,1-4H3;1-7,10-11H;1-3H,(H,10,11);1-4H,(H,9,10);1-4H,8H2,(H,9,10);1-2H3/b15-14+,18-16+;12-11+,15-13+;;7-6+;;;;
InChIKeyBTBGAVBYUQBIAA-RJFLKOGTSA-N
XLogP25.68
TPSA235.30 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002088.57
LogP ≤ 525.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

ethane;iodoethane;5-nitro-1H-indazole;1,1,1-triiodoethane;trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane;2-(2-trimethylsilylethoxymethyl)indazol-5-amine
CID 157248506
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
3,5-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
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
bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole)
CID 159369515
ethane;iodoethane;methane;5-nitro-1H-indazole;1,1,1-triiodoethane;trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane;2-(2-trimethylsilylethoxymethyl)indazol-5-amine
CID 159393400
(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
4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-quinolin-4-ylindazol-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 160156527
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
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;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;phenylboronic acid;[(E)-2-phenylethenyl]boronic acid;5-phenyl-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
CID 160618189
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C(=C/c1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)\c1ccccc1.CC.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(/C=C/c3ccccc3)ccc21.Cc1nn(COCC[Si](C)(C)C)c2ccc(I)cc12.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;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?
The InChIKey is BTBGAVBYUQBIAA-RJFLKOGTSA-N. The full InChI is InChI=1S/C29H32N2OSi.C23H18N2.C14H21IN2OSi.C8H9BO2.C7H4I2N2.C7H5IN2.C7H7N3.C2H6/c1-33(2,3)21-20-32-23-31-29-19-17-26(15-14-24-10-6-4-7-11-24)22-27(29)28(30-31)18-16-25-12-8-5-9-13-25;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;1-11-13-9-12(15)5-6-14(13)17(16-11)10-18-7-8-19(2,3)4;10-9(11)7-6-8-4-2-1-3-5-8;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;1-2/h4-19,22H,20-21,23H2,1-3H3;1-17H,(H,24,25);5-6,9H,7-8,10H2,1-4H3;1-7,10-11H;1-3H,(H,10,11);1-4H,(H,9,10);1-4H,8H2,(H,9,10);1-2H3/b15-14+,18-16+;12-11+,15-13+;;7-6+;;;;.
What are the key properties of 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?
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 has a molecular weight of 2088.57 g/mol, XLogP of 25.68, 20 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157453403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).