1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene

C14H14N2 — CID 122523742

IUPAC1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene
SMILESC1=CC2=CN3C4=CCCC=C4CC3N2C=C1
InChIInChI=1S/C14H14N2/c1-2-7-13-11(5-1)9-14-15-8-4-3-6-12(15)10-16(13)14/h3-8,10,14H,1-2,9H2
InChIKeyMCTVMPNWZKXTNP-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.86
Rot. Bonds

About 1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene

1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene (PubChem CID 122523742) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene.

Molecular Properties

Compound Name1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene
PubChem CID122523742
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene
SMILESC1=CC2=CN3C4=CCCC=C4CC3N2C=C1
InChIInChI=1S/C14H14N2/c1-2-7-13-11(5-1)9-14-15-8-4-3-6-12(15)10-16(13)14/h3-8,10,14H,1-2,9H2
InChIKeyMCTVMPNWZKXTNP-UHFFFAOYSA-N
XLogP2.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene?
The IUPAC name of 1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene (CID 122523742) is 1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene.
What is the SMILES notation for 1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene?
The canonical SMILES for 1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene is C1=CC2=CN3C4=CCCC=C4CC3N2C=C1.
What is the InChIKey of 1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene?
The InChIKey is MCTVMPNWZKXTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-7-13-11(5-1)9-14-15-8-4-3-6-12(15)10-16(13)14/h3-8,10,14H,1-2,9H2.
What are the key properties of 1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene?
1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene has a molecular weight of 210.28 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,6,11,13,15-pentaene is sourced from PubChem (CID 122523742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).