15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene

C14H9N — CID 9148

IUPAC15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
SMILESc1cc2ccc3cccc4[nH]c(c1)c2c34
InChIInChI=1S/C14H9N/c1-3-9-7-8-10-4-2-6-12-14(10)13(9)11(5-1)15-12/h1-8,15H
InChIKeyVQOUCGZKKPJLGH-UHFFFAOYSA-N
MW191.23 g/mol
LogP3.91
Rot. Bonds

About 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene

15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene (PubChem CID 9148) 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),9,11-heptaene.

Molecular Properties

Compound Name15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
PubChem CID9148
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),9,11-heptaene
SMILESc1cc2ccc3cccc4[nH]c(c1)c2c34
InChIInChI=1S/C14H9N/c1-3-9-7-8-10-4-2-6-12-14(10)13(9)11(5-1)15-12/h1-8,15H
InChIKeyVQOUCGZKKPJLGH-UHFFFAOYSA-N
XLogP3.91
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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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),9,11-heptaene?
The IUPAC name of 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene (CID 9148) is 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene.
What is the SMILES notation for 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene?
The canonical SMILES for 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene is c1cc2ccc3cccc4[nH]c(c1)c2c34.
What is the InChIKey of 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene?
The InChIKey is VQOUCGZKKPJLGH-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/h1-8,15H.
What are the key properties of 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene?
15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene has a molecular weight of 191.23 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 0 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),9,11-heptaene is sourced from PubChem (CID 9148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).