5-ethenoxy-3-methyl-1-tritylindazole

C29H24N2O — CID 129288156

IUPAC5-ethenoxy-3-methyl-1-tritylindazole
SMILESC=COc1ccc2c(c1)c(C)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24N2O/c1-3-32-26-19-20-28-27(21-26)22(2)30-31(28)29(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h3-21H,1H2,2H3
InChIKeyAKSNLPFQNPOUPW-UHFFFAOYSA-N
MW416.52 g/mol
LogP6.71
Rot. Bonds6

About 5-ethenoxy-3-methyl-1-tritylindazole

5-ethenoxy-3-methyl-1-tritylindazole (PubChem CID 129288156) has the molecular formula C29H24N2O and a molecular weight of 416.52 g/mol. Its IUPAC name is 5-ethenoxy-3-methyl-1-tritylindazole.

Molecular Properties

Compound Name5-ethenoxy-3-methyl-1-tritylindazole
PubChem CID129288156
Molecular FormulaC29H24N2O
Molecular Weight416.52 g/mol
Exact Mass416.19
IUPAC Name5-ethenoxy-3-methyl-1-tritylindazole
SMILESC=COc1ccc2c(c1)c(C)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H24N2O/c1-3-32-26-19-20-28-27(21-26)22(2)30-31(28)29(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h3-21H,1H2,2H3
InChIKeyAKSNLPFQNPOUPW-UHFFFAOYSA-N
XLogP6.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

5-ethenoxy-3-iodo-1-tritylindazole
CID 90399005
zinc;5-cyclopropyloxy-3-iodo-1-tritylindazole;diiodomethane;ethane;5-ethenoxy-3-iodo-1-tritylindazole;2,2,2-trifluoroacetic acid
CID 161137903
3-bromo-5-chloro-1-tritylpyrazole
CID 135206927
4-iodo-3,5-dimethyl-1-tritylpyrazole
CID 102228984
N-(5-butoxy-1-tritylindazol-3-yl)-N-formyl-2-methylbenzamide
CID 170249240
trimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane
CID 169236540
N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tritylindazol-3-amine
CID 174124984
3-ethenyl-6-fluoro-1-tritylindazole-5-carboxylic acid
CID 23070204
ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene
CID 66741878
6-chloro-3-iodo-4-methyl-1-tritylpyrazolo[4,3-c]pyridine
CID 161431757
5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine
CID 170248197
3-(1-benzothiophen-2-yl)-6-methoxy-1-tritylindazole
CID 141058510

Frequently Asked Questions

What is the IUPAC name of 5-ethenoxy-3-methyl-1-tritylindazole?
The IUPAC name of 5-ethenoxy-3-methyl-1-tritylindazole (CID 129288156) is 5-ethenoxy-3-methyl-1-tritylindazole.
What is the SMILES notation for 5-ethenoxy-3-methyl-1-tritylindazole?
The canonical SMILES for 5-ethenoxy-3-methyl-1-tritylindazole is C=COc1ccc2c(c1)c(C)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-ethenoxy-3-methyl-1-tritylindazole?
The InChIKey is AKSNLPFQNPOUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O/c1-3-32-26-19-20-28-27(21-26)22(2)30-31(28)29(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h3-21H,1H2,2H3.
What are the key properties of 5-ethenoxy-3-methyl-1-tritylindazole?
5-ethenoxy-3-methyl-1-tritylindazole has a molecular weight of 416.52 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenoxy-3-methyl-1-tritylindazole is sourced from PubChem (CID 129288156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).