15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene

C15H12N2 — CID 87432836

IUPAC15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene
SMILESC1=CC2=CC=c3ccccc3=C3NNC(=C23)C1
InChIInChI=1S/C15H12N2/c1-2-6-12-10(4-1)8-9-11-5-3-7-13-14(11)15(12)17-16-13/h1-6,8-9,16-17H,7H2
InChIKeyICCNRHLFRDBIHM-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.84
Rot. Bonds

About 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene

15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene (PubChem CID 87432836) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene.

Molecular Properties

Compound Name15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene
PubChem CID87432836
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene
SMILESC1=CC2=CC=c3ccccc3=C3NNC(=C23)C1
InChIInChI=1S/C15H12N2/c1-2-6-12-10(4-1)8-9-11-5-3-7-13-14(11)15(12)17-16-13/h1-6,8-9,16-17H,7H2
InChIKeyICCNRHLFRDBIHM-UHFFFAOYSA-N
XLogP0.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene?
The IUPAC name of 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene (CID 87432836) is 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene.
What is the SMILES notation for 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene?
The canonical SMILES for 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene is C1=CC2=CC=c3ccccc3=C3NNC(=C23)C1.
What is the InChIKey of 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene?
The InChIKey is ICCNRHLFRDBIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c1-2-6-12-10(4-1)8-9-11-5-3-7-13-14(11)15(12)17-16-13/h1-6,8-9,16-17H,7H2.
What are the key properties of 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene?
15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene has a molecular weight of 220.28 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1,3,5,7,9,11,14(17)-heptaene is sourced from PubChem (CID 87432836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).