11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene

C13H9N — CID 174521661

IUPAC11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene
SMILESC1=CC2Nc3ccc4cccc2c4c31
InChIInChI=1S/C13H9N/c1-2-8-4-6-11-10-5-7-12(14-11)9(3-1)13(8)10/h1-7,12,14H
InChIKeyXMPDUNFMPQYTHK-UHFFFAOYSA-N
MW179.22 g/mol
LogP3.33
Rot. Bonds

About 11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene

11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene (PubChem CID 174521661) has the molecular formula C13H9N and a molecular weight of 179.22 g/mol. Its IUPAC name is 11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene.

Molecular Properties

Compound Name11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene
PubChem CID174521661
Molecular FormulaC13H9N
Molecular Weight179.22 g/mol
Exact Mass179.07
IUPAC Name11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene
SMILESC1=CC2Nc3ccc4cccc2c4c31
InChIInChI=1S/C13H9N/c1-2-8-4-6-11-10-5-7-12(14-11)9(3-1)13(8)10/h1-7,12,14H
InChIKeyXMPDUNFMPQYTHK-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene with MolForge

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Related Compounds

4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene
CID 173221466
8b,12a-dihydrobenzo[e]pyrene
CID 168838340
N-(1H-phenalen-1-yl)-1H-phenalen-1-amine
CID 23024201
2,6-bis(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 102039871
3-methyltetracyclo[7.3.1.02,4.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 86129150
2-ethyl-1,2-dihydrobenzo[cd]indole
CID 162781792
pyrene;dihydrobromide
CID 172822251
pyrene;zirconium
CID 175873743
CID 174146075
CID 174146075
2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
CID 13067294
(4-decyl-1H-phenalen-1-yl) acetate
CID 175378013
1-chloro-1H-phenalene
CID 118456888

Frequently Asked Questions

What is the IUPAC name of 11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene?
The IUPAC name of 11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene (CID 174521661) is 11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene.
What is the SMILES notation for 11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene?
The canonical SMILES for 11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene is C1=CC2Nc3ccc4cccc2c4c31.
What is the InChIKey of 11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene?
The InChIKey is XMPDUNFMPQYTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N/c1-2-8-4-6-11-10-5-7-12(14-11)9(3-1)13(8)10/h1-7,12,14H.
What are the key properties of 11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene?
11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene has a molecular weight of 179.22 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatetracyclo[8.4.0.02,7.03,12]tetradeca-1(10),2(7),3,5,8,13-hexaene is sourced from PubChem (CID 174521661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).