ethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone

C53H58N6O3Si — CID 157469158

IUPACethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone
SMILESC.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(C(=O)c3ccccc3)cc21.NCCN.O=C(c1ccccc1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1
InChIInChI=1S/C28H30N2O2Si.C22H16N2O.C2H8N2.CH4/c1-33(2,3)19-18-32-21-30-27-20-24(28(31)23-12-8-5-9-13-23)15-16-25(27)26(29-30)17-14-22-10-6-4-7-11-22;25-22(17-9-5-2-6-10-17)18-12-13-19-20(23-24-21(19)15-18)14-11-16-7-3-1-4-8-16;3-1-2-4;/h4-17,20H,18-19,21H2,1-3H3;1-15H,(H,23,24);1-4H2;1H4/b17-14+;14-11+;;
InChIKeyBUVALWJVVQDKAJ-LPQFYTMGSA-N
MW855.17 g/mol
LogP11.25
Rot. Bonds14

About ethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone

ethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone (PubChem CID 157469158) has the molecular formula C53H58N6O3Si and a molecular weight of 855.17 g/mol. Its IUPAC name is ethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone.

Molecular Properties

Compound Nameethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone
PubChem CID157469158
Molecular FormulaC53H58N6O3Si
Molecular Weight855.17 g/mol
Exact Mass854.43
IUPAC Nameethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone
SMILESC.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(C(=O)c3ccccc3)cc21.NCCN.O=C(c1ccccc1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1
InChIInChI=1S/C28H30N2O2Si.C22H16N2O.C2H8N2.CH4/c1-33(2,3)19-18-32-21-30-27-20-24(28(31)23-12-8-5-9-13-23)15-16-25(27)26(29-30)17-14-22-10-6-4-7-11-22;25-22(17-9-5-2-6-10-17)18-12-13-19-20(23-24-21(19)15-18)14-11-16-7-3-1-4-8-16;3-1-2-4;/h4-17,20H,18-19,21H2,1-3H3;1-15H,(H,23,24);1-4H2;1H4/b17-14+;14-11+;;
InChIKeyBUVALWJVVQDKAJ-LPQFYTMGSA-N
XLogP11.25
TPSA141.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.17
LogP ≤ 511.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone with MolForge

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Related Compounds

(2-((1H-indazol-6-yl)methylamino)phenyl)(1-methyl-1H-indazol-3-yl)methanone
CID 44577793
(2-((1H-indazol-6-yl)methylamino)phenyl)(1-(2-methoxyethyl)-1H-indazol-3-yl)methanone
CID 44577766
Carbanthrene Red G 2B
CID 20178
2,5-dimethyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 134135459
2-ethyl-5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 134140946
1,5-dimethyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 134146679
6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1,1,1-trifluoro-3-hydroxypropan-2-one;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
CID 158357251
12-(8-Oxo-14-propan-2-yl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-4-yl)-14-propan-2-yl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
CID 170841107
(3-Aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone
CID 20778076
(3-aminophenyl)-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone
CID 21877254
N-[3-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]phenyl]benzamide
CID 21877485
phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone
CID 21877493

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone?
The IUPAC name of ethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone (CID 157469158) is ethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone.
What is the SMILES notation for ethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone?
The canonical SMILES for ethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone is C.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(C(=O)c3ccccc3)cc21.NCCN.O=C(c1ccccc1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1.
What is the InChIKey of ethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone?
The InChIKey is BUVALWJVVQDKAJ-LPQFYTMGSA-N. The full InChI is InChI=1S/C28H30N2O2Si.C22H16N2O.C2H8N2.CH4/c1-33(2,3)19-18-32-21-30-27-20-24(28(31)23-12-8-5-9-13-23)15-16-25(27)26(29-30)17-14-22-10-6-4-7-11-22;25-22(17-9-5-2-6-10-17)18-12-13-19-20(23-24-21(19)15-18)14-11-16-7-3-1-4-8-16;3-1-2-4;/h4-17,20H,18-19,21H2,1-3H3;1-15H,(H,23,24);1-4H2;1H4/b17-14+;14-11+;;.
What are the key properties of ethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone?
ethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone has a molecular weight of 855.17 g/mol, XLogP of 11.25, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;methane;phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone is sourced from PubChem (CID 157469158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).