16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene

C15H14N2 — CID 123476841

IUPAC16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene
SMILESCN1CC=CC=Cc2ccc3cccnc3c21
InChIInChI=1S/C15H14N2/c1-17-11-4-2-3-6-13-9-8-12-7-5-10-16-14(12)15(13)17/h2-10H,11H2,1H3
InChIKeyZJYDSZWXTBUKID-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.25
Rot. Bonds

About 16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene

16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene (PubChem CID 123476841) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene.

Molecular Properties

Compound Name16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene
PubChem CID123476841
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene
SMILESCN1CC=CC=Cc2ccc3cccnc3c21
InChIInChI=1S/C15H14N2/c1-17-11-4-2-3-6-13-9-8-12-7-5-10-16-14(12)15(13)17/h2-10H,11H2,1H3
InChIKeyZJYDSZWXTBUKID-UHFFFAOYSA-N
XLogP3.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4611650
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
bis(1,10-phenanthroline);ruthenium
CID 15001085
10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline
CID 175389564
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127

Frequently Asked Questions

What is the IUPAC name of 16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene?
The IUPAC name of 16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene (CID 123476841) is 16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene.
What is the SMILES notation for 16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene?
The canonical SMILES for 16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene is CN1CC=CC=Cc2ccc3cccnc3c21.
What is the InChIKey of 16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene?
The InChIKey is ZJYDSZWXTBUKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-17-11-4-2-3-6-13-9-8-12-7-5-10-16-14(12)15(13)17/h2-10H,11H2,1H3.
What are the key properties of 16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene?
16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene has a molecular weight of 222.29 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene is sourced from PubChem (CID 123476841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).