7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene

C16H12N2 — CID 87871492

IUPAC7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene
SMILESC1=CC=c2c(c3c4n2C=CN=CC=4CC=C3)C=C1
InChIInChI=1S/C16H12N2/c1-2-6-13-14-7-4-5-12-11-17-9-10-18(16(12)14)15(13)8-3-1/h1-4,6-11H,5H2
InChIKeyRELBHFFWRADIQJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.93
Rot. Bonds

About 7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene

7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene (PubChem CID 87871492) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene.

Molecular Properties

Compound Name7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene
PubChem CID87871492
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene
SMILESC1=CC=c2c(c3c4n2C=CN=CC=4CC=C3)C=C1
InChIInChI=1S/C16H12N2/c1-2-6-13-14-7-4-5-12-11-17-9-10-18(16(12)14)15(13)8-3-1/h1-4,6-11H,5H2
InChIKeyRELBHFFWRADIQJ-UHFFFAOYSA-N
XLogP1.93
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene?
The IUPAC name of 7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene (CID 87871492) is 7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene.
What is the SMILES notation for 7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene?
The canonical SMILES for 7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene is C1=CC=c2c(c3c4n2C=CN=CC=4CC=C3)C=C1.
What is the InChIKey of 7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene?
The InChIKey is RELBHFFWRADIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-2-6-13-14-7-4-5-12-11-17-9-10-18(16(12)14)15(13)8-3-1/h1-4,6-11H,5H2.
What are the key properties of 7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene?
7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene has a molecular weight of 232.29 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diazatetracyclo[8.7.1.05,18.011,17]octadeca-1(17),2,5(18),6,8,11,13,15-octaene is sourced from PubChem (CID 87871492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).