6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene

C21H15N — CID 155367146

IUPAC6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene
SMILESc1ccc2c(-c3cc4c5c(cccc5n3)CC4)cccc2c1
InChIInChI=1S/C21H15N/c1-2-8-17-14(5-1)6-3-9-18(17)20-13-16-12-11-15-7-4-10-19(22-20)21(15)16/h1-10,13H,11-12H2
InChIKeyDBQBITVTZFGZQA-UHFFFAOYSA-N
MW281.36 g/mol
LogP5.15
Rot. Bonds1

About 6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene

6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene (PubChem CID 155367146) has the molecular formula C21H15N and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene.

Molecular Properties

Compound Name6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene
PubChem CID155367146
Molecular FormulaC21H15N
Molecular Weight281.36 g/mol
Exact Mass281.12
IUPAC Name6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene
SMILESc1ccc2c(-c3cc4c5c(cccc5n3)CC4)cccc2c1
InChIInChI=1S/C21H15N/c1-2-8-17-14(5-1)6-3-9-18(17)20-13-16-12-11-15-7-4-10-19(22-20)21(15)16/h1-10,13H,11-12H2
InChIKeyDBQBITVTZFGZQA-UHFFFAOYSA-N
XLogP5.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.36
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene?
The IUPAC name of 6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene (CID 155367146) is 6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene.
What is the SMILES notation for 6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene?
The canonical SMILES for 6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene is c1ccc2c(-c3cc4c5c(cccc5n3)CC4)cccc2c1.
What is the InChIKey of 6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene?
The InChIKey is DBQBITVTZFGZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N/c1-2-8-17-14(5-1)6-3-9-18(17)20-13-16-12-11-15-7-4-10-19(22-20)21(15)16/h1-10,13H,11-12H2.
What are the key properties of 6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene?
6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene has a molecular weight of 281.36 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene is sourced from PubChem (CID 155367146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).