6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene

C22H28N4 — CID 123780342

IUPAC6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene
SMILESCC1=CN(C)C2CC=CC=C2/N=C/C=CN(C)C2=CC(C)CC=C2/N=C/1
InChIInChI=1S/C22H28N4/c1-17-10-11-20-22(14-17)25(3)13-7-12-23-19-8-5-6-9-21(19)26(4)16-18(2)15-24-20/h5-8,11-17,21H,9-10H2,1-4H3/b13-7?,18-16?,23-12+,24-15+
InChIKeyXOYFIRGQZFYGIA-RBVHECNXSA-N
MW348.49 g/mol
LogP4.44
Rot. Bonds

About 6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene

6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene (PubChem CID 123780342) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene.

Molecular Properties

Compound Name6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene
PubChem CID123780342
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene
SMILESCC1=CN(C)C2CC=CC=C2/N=C/C=CN(C)C2=CC(C)CC=C2/N=C/1
InChIInChI=1S/C22H28N4/c1-17-10-11-20-22(14-17)25(3)13-7-12-23-19-8-5-6-9-21(19)26(4)16-18(2)15-24-20/h5-8,11-17,21H,9-10H2,1-4H3/b13-7?,18-16?,23-12+,24-15+
InChIKeyXOYFIRGQZFYGIA-RBVHECNXSA-N
XLogP4.44
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene?
The IUPAC name of 6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene (CID 123780342) is 6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene.
What is the SMILES notation for 6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene?
The canonical SMILES for 6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene is CC1=CN(C)C2CC=CC=C2/N=C/C=CN(C)C2=CC(C)CC=C2/N=C/1.
What is the InChIKey of 6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene?
The InChIKey is XOYFIRGQZFYGIA-RBVHECNXSA-N. The full InChI is InChI=1S/C22H28N4/c1-17-10-11-20-22(14-17)25(3)13-7-12-23-19-8-5-6-9-21(19)26(4)16-18(2)15-24-20/h5-8,11-17,21H,9-10H2,1-4H3/b13-7?,18-16?,23-12+,24-15+.
What are the key properties of 6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene?
6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene has a molecular weight of 348.49 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,15,17-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene is sourced from PubChem (CID 123780342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).