[6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane

C21H22GeN2O — CID 166018646

IUPAC[6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane
SMILESCc1cc(C)cc(-c2nccc3c2oc2nc([Ge](C)(C)C)ccc23)c1
InChIInChI=1S/C21H22GeN2O/c1-13-10-14(2)12-15(11-13)19-20-16(8-9-23-19)17-6-7-18(22(3,4)5)24-21(17)25-20/h6-12H,1-5H3
InChIKeyJWZZTVNJXUKCRQ-UHFFFAOYSA-N
MW391.03 g/mol
LogP5.21
Rot. Bonds2

About [6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane

[6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane (PubChem CID 166018646) has the molecular formula C21H22GeN2O and a molecular weight of 391.03 g/mol. Its IUPAC name is [6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane.

Molecular Properties

Compound Name[6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane
PubChem CID166018646
Molecular FormulaC21H22GeN2O
Molecular Weight391.03 g/mol
Exact Mass392.09
IUPAC Name[6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane
SMILESCc1cc(C)cc(-c2nccc3c2oc2nc([Ge](C)(C)C)ccc23)c1
InChIInChI=1S/C21H22GeN2O/c1-13-10-14(2)12-15(11-13)19-20-16(8-9-23-19)17-6-7-18(22(3,4)5)24-21(17)25-20/h6-12H,1-5H3
InChIKeyJWZZTVNJXUKCRQ-UHFFFAOYSA-N
XLogP5.21
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.03
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane
CID 166018520
2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 176749058
[1-(3,5-dimethylphenyl)-5-trimethylgermylisoquinolin-7-yl]-trimethylgermane
CID 140609514
4-(3,5-dimethylphenyl)-8,9-dimethylbenzo[f]isoquinoline
CID 159366512
7-(3,5-dimethylphenyl)-2-phenylfuro[2,3-c]pyridine
CID 153444977
4-(3,5-dimethylphenyl)benzo[f]isoquinolin-8-amine
CID 171576489
8-tert-butyl-4-(3,5-dimethylphenyl)benzo[f]isoquinoline
CID 155619475
4-(3,5-dimethylphenyl)-9-ethylbenzo[f]isoquinoline
CID 158944729
4-(3,5-dimethylphenyl)-8-(trifluoromethyl)benzo[f]isoquinoline
CID 154589438
[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[2,3-c]pyridin-6-yl]-trimethylgermane
CID 166018616
4-(3,5-dimethylphenyl)-8-(2,2-dimethylpropyl)benzo[f]isoquinoline
CID 156787409
4-(3,5-dimethylphenyl)-7-methyl-9-(trifluoromethyl)benzo[f]isoquinoline
CID 154589558

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane?
The IUPAC name of [6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane (CID 166018646) is [6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane.
What is the SMILES notation for [6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane?
The canonical SMILES for [6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane is Cc1cc(C)cc(-c2nccc3c2oc2nc([Ge](C)(C)C)ccc23)c1.
What is the InChIKey of [6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane?
The InChIKey is JWZZTVNJXUKCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22GeN2O/c1-13-10-14(2)12-15(11-13)19-20-16(8-9-23-19)17-6-7-18(22(3,4)5)24-21(17)25-20/h6-12H,1-5H3.
What are the key properties of [6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane?
[6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane has a molecular weight of 391.03 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dimethylphenyl)-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-trimethylgermane is sourced from PubChem (CID 166018646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).