15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene

C14H9N — CID 23616724

IUPAC15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene
SMILESC1=Cc2ccc3cccc4c3c2C(=N4)C1
InChIInChI=1S/C14H9N/c1-3-9-7-8-10-4-2-6-12-14(10)13(9)11(5-1)15-12/h1-5,7-8H,6H2
InChIKeyYQDKDTCFOQTBFB-UHFFFAOYSA-N
MW191.23 g/mol
LogP3.69
Rot. Bonds

About 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene

15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene (PubChem CID 23616724) has the molecular formula C14H9N and a molecular weight of 191.23 g/mol. Its IUPAC name is 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene.

Molecular Properties

Compound Name15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene
PubChem CID23616724
Molecular FormulaC14H9N
Molecular Weight191.23 g/mol
Exact Mass191.07
IUPAC Name15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene
SMILESC1=Cc2ccc3cccc4c3c2C(=N4)C1
InChIInChI=1S/C14H9N/c1-3-9-7-8-10-4-2-6-12-14(10)13(9)11(5-1)15-12/h1-5,7-8H,6H2
InChIKeyYQDKDTCFOQTBFB-UHFFFAOYSA-N
XLogP3.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene?
The IUPAC name of 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene (CID 23616724) is 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene.
What is the SMILES notation for 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene?
The canonical SMILES for 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene is C1=Cc2ccc3cccc4c3c2C(=N4)C1.
What is the InChIKey of 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene?
The InChIKey is YQDKDTCFOQTBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N/c1-3-9-7-8-10-4-2-6-12-14(10)13(9)11(5-1)15-12/h1-5,7-8H,6H2.
What are the key properties of 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene?
15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene has a molecular weight of 191.23 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,12(15)-heptaene is sourced from PubChem (CID 23616724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).