11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene

C17H15N — CID 69134421

IUPAC11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene
SMILESC1=CNC2C=C3C=CC=CC34C=CC=CC4C2=C1
InChIInChI=1S/C17H15N/c1-3-9-17-10-4-2-8-15(17)14-7-5-11-18-16(14)12-13(17)6-1/h1-12,15-16,18H
InChIKeyAQRWFSJBTBSUDE-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.19
Rot. Bonds

About 11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene

11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene (PubChem CID 69134421) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene.

Molecular Properties

Compound Name11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene
PubChem CID69134421
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene
SMILESC1=CNC2C=C3C=CC=CC34C=CC=CC4C2=C1
InChIInChI=1S/C17H15N/c1-3-9-17-10-4-2-8-15(17)14-7-5-11-18-16(14)12-13(17)6-1/h1-12,15-16,18H
InChIKeyAQRWFSJBTBSUDE-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene?
The IUPAC name of 11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene (CID 69134421) is 11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene.
What is the SMILES notation for 11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene?
The canonical SMILES for 11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene is C1=CNC2C=C3C=CC=CC34C=CC=CC4C2=C1.
What is the InChIKey of 11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene?
The InChIKey is AQRWFSJBTBSUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-3-9-17-10-4-2-8-15(17)14-7-5-11-18-16(14)12-13(17)6-1/h1-12,15-16,18H.
What are the key properties of 11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene?
11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene has a molecular weight of 233.31 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatetracyclo[12.4.0.01,6.07,12]octadeca-2,4,7,9,13,15,17-heptaene is sourced from PubChem (CID 69134421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).