12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene

C15H10N2 — CID 130290898

IUPAC12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=CC2=c3ccccc3=CC3=CC=NC(=N1)C32
InChIInChI=1S/C15H10N2/c1-2-4-12-10(3-1)9-11-5-7-16-15-14(11)13(12)6-8-17-15/h1-9,14H
InChIKeySMDQAOPHPCRXBM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.18
Rot. Bonds

About 12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene

12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 130290898) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID130290898
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=CC2=c3ccccc3=CC3=CC=NC(=N1)C32
InChIInChI=1S/C15H10N2/c1-2-4-12-10(3-1)9-11-5-7-16-15-14(11)13(12)6-8-17-15/h1-9,14H
InChIKeySMDQAOPHPCRXBM-UHFFFAOYSA-N
XLogP1.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 130290898) is 12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene is C1=CC2=c3ccccc3=CC3=CC=NC(=N1)C32.
What is the InChIKey of 12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is SMDQAOPHPCRXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c1-2-4-12-10(3-1)9-11-5-7-16-15-14(11)13(12)6-8-17-15/h1-9,14H.
What are the key properties of 12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene?
12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 218.26 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 130290898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).