1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane

C25H27GeNO3 — CID 16697456

IUPAC1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)[Ge]23OCCN(CCO2)CCO3)cc1
InChIInChI=1S/C25H27GeNO3/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23,24-14-8-3-9-15-24)26-28-19-16-27(17-20-29-26)18-21-30-26/h1-15H,16-21H2
InChIKeyYLWOETMQCFLWNY-UHFFFAOYSA-N
MW462.11 g/mol
LogP3.88
Rot. Bonds4

About 1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane

1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane (PubChem CID 16697456) has the molecular formula C25H27GeNO3 and a molecular weight of 462.11 g/mol. Its IUPAC name is 1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane.

Molecular Properties

Compound Name1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
PubChem CID16697456
Molecular FormulaC25H27GeNO3
Molecular Weight462.11 g/mol
Exact Mass463.12
IUPAC Name1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)[Ge]23OCCN(CCO2)CCO3)cc1
InChIInChI=1S/C25H27GeNO3/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23,24-14-8-3-9-15-24)26-28-19-16-27(17-20-29-26)18-21-30-26/h1-15H,16-21H2
InChIKeyYLWOETMQCFLWNY-UHFFFAOYSA-N
XLogP3.88
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.11
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-phenylethenyl]-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
CID 16691593
1,4-diazabicyclo[2.2.2]octane;(3-iodo-1,1-diphenylprop-2-ynyl)benzene
CID 139124936
1-naphthalen-2-yl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
CID 23278680
1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol
CID 23992385
1-phenyl-2,9,10-trioxa-6-aza-1-silabicyclo[4.3.3]dodecane
CID 23278681
7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene
CID 58413880
1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)
CID 139194210
1-azabicyclo[2.2.2]octane;2-hydroxy-2,2-diphenylacetic acid
CID 5311391
3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol
CID 174188222
1-morpholin-4-yl-2-phenylpropan-2-amine
CID 62489522
4-(2-phenylbut-3-en-2-yl)morpholine
CID 132502608
1-amino-2-morpholin-4-yl-1-phenylethanol
CID 67546296

Frequently Asked Questions

What is the IUPAC name of 1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The IUPAC name of 1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane (CID 16697456) is 1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane.
What is the SMILES notation for 1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The canonical SMILES for 1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane is c1ccc(C(c2ccccc2)(c2ccccc2)[Ge]23OCCN(CCO2)CCO3)cc1.
What is the InChIKey of 1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
The InChIKey is YLWOETMQCFLWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27GeNO3/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23,24-14-8-3-9-15-24)26-28-19-16-27(17-20-29-26)18-21-30-26/h1-15H,16-21H2.
What are the key properties of 1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane?
1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane has a molecular weight of 462.11 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trityl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane is sourced from PubChem (CID 16697456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).