trimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane

C32H34N2OSn — CID 169236540

IUPACtrimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane
SMILESCC(C)Oc1ccc2c([Sn](C)(C)C)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C29H25N2O.3CH3.Sn/c1-22(2)32-27-19-18-23-21-30-31(28(23)20-27)29(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;;;;/h3-20,22H,1-2H3;3*1H3;
InChIKeyOMPWQCMEBRRYDH-UHFFFAOYSA-N
MW581.35 g/mol
LogP7.21
Rot. Bonds7

About trimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane

trimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane (PubChem CID 169236540) has the molecular formula C32H34N2OSn and a molecular weight of 581.35 g/mol. Its IUPAC name is trimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane.

Molecular Properties

Compound Nametrimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane
PubChem CID169236540
Molecular FormulaC32H34N2OSn
Molecular Weight581.35 g/mol
Exact Mass582.17
IUPAC Nametrimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane
SMILESCC(C)Oc1ccc2c([Sn](C)(C)C)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C29H25N2O.3CH3.Sn/c1-22(2)32-27-19-18-23-21-30-31(28(23)20-27)29(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;;;;/h3-20,22H,1-2H3;3*1H3;
InChIKeyOMPWQCMEBRRYDH-UHFFFAOYSA-N
XLogP7.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.35
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-(1-benzothiophen-2-yl)-6-methoxy-1-tritylindazole
CID 141058510
1-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]piperidin-4-ol
CID 118655258
(3R)-1-[5-(5-propan-2-yloxy-1-tritylindazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 169236495
5-ethenoxy-3-methyl-1-tritylindazole
CID 129288156
6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine
CID 118272494
1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62795392
5-ethenoxy-3-iodo-1-tritylindazole
CID 90399005
6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine
CID 118272406
3-ethenyl-6-fluoro-1-tritylindazole-5-carboxylic acid
CID 23070204
6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine
CID 161440732
3-methoxy-6-[(1R)-1-phenylethyl]-1-trityl-5,8-dihydropyrazolo[4,5-g]quinazolin-7-one
CID 136984215
3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
CID 139717812

Frequently Asked Questions

What is the IUPAC name of trimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane?
The IUPAC name of trimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane (CID 169236540) is trimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane.
What is the SMILES notation for trimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane?
The canonical SMILES for trimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane is CC(C)Oc1ccc2c([Sn](C)(C)C)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1.
What is the InChIKey of trimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane?
The InChIKey is OMPWQCMEBRRYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N2O.3CH3.Sn/c1-22(2)32-27-19-18-23-21-30-31(28(23)20-27)29(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;;;;/h3-20,22H,1-2H3;3*1H3;.
What are the key properties of trimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane?
trimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane has a molecular weight of 581.35 g/mol, XLogP of 7.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(6-propan-2-yloxy-1-tritylindazol-3-yl)stannane is sourced from PubChem (CID 169236540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).