methyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane

C26H26N2OS — CID 142037681

IUPACmethyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane
SMILESC=S(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C26H26N2OS/c1-30(2)18-17-29-20-28-26-19-23(22-11-7-4-8-12-22)14-15-24(26)25(27-28)16-13-21-9-5-3-6-10-21/h3-16,19H,1,17-18,20H2,2H3/b16-13+
InChIKeyIHYGQDDBJBTAOA-DTQAZKPQSA-N
MW414.57 g/mol
LogP6.18
Rot. Bonds8

About methyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane

methyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane (PubChem CID 142037681) has the molecular formula C26H26N2OS and a molecular weight of 414.57 g/mol. Its IUPAC name is methyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane.

Molecular Properties

Compound Namemethyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane
PubChem CID142037681
Molecular FormulaC26H26N2OS
Molecular Weight414.57 g/mol
Exact Mass414.18
IUPAC Namemethyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane
SMILESC=S(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C26H26N2OS/c1-30(2)18-17-29-20-28-26-19-23(22-11-7-4-8-12-22)14-15-24(26)25(27-28)16-13-21-9-5-3-6-10-21/h3-16,19H,1,17-18,20H2,2H3/b16-13+
InChIKeyIHYGQDDBJBTAOA-DTQAZKPQSA-N
XLogP6.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane with MolForge

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Related Compounds

trimethyl-[2-[[6-(1-phenylethenyl)-3-(2-phenylethenyl)indazol-1-yl]methoxy]ethyl]silane
CID 69371688
1-methyl-5-phenyl-3-[(E)-2-phenylethenyl]indazole
CID 20816248
3-[2-(1,3-benzodioxol-5-yl)ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
CID 69371667
tert-butyl-dimethyl-[1-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]piperidin-4-yl]oxysilane
CID 22352415
3-[2-[3-(4-methylpiperazine-1-carbonyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
CID 91326919
2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole
CID 89104477
2-methyl-5-[1-(2-trimethylsilylethoxymethyl)-3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethenyl]indazol-6-yl]oxyaniline
CID 87800832
9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217271
trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
2-[(E)-2-phenylethenyl]azulene
CID 12674002
3-[[3-(2-pyrazin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-2-one
CID 68756555
1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole
CID 20816245

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane?
The IUPAC name of methyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane (CID 142037681) is methyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane.
What is the SMILES notation for methyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane?
The canonical SMILES for methyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane is C=S(C)CCOCn1nc(/C=C/c2ccccc2)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of methyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane?
The InChIKey is IHYGQDDBJBTAOA-DTQAZKPQSA-N. The full InChI is InChI=1S/C26H26N2OS/c1-30(2)18-17-29-20-28-26-19-23(22-11-7-4-8-12-22)14-15-24(26)25(27-28)16-13-21-9-5-3-6-10-21/h3-16,19H,1,17-18,20H2,2H3/b16-13+.
What are the key properties of methyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane?
methyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane has a molecular weight of 414.57 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-[2-[[6-phenyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]-λ4-sulfane is sourced from PubChem (CID 142037681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).