11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene

C15H11N — CID 70288039

IUPAC11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene
SMILESC1=Cc2cc3c4ccccc4ccc3n2C1
InChIInChI=1S/C15H11N/c1-2-6-13-11(4-1)7-8-15-14(13)10-12-5-3-9-16(12)15/h1-8,10H,9H2
InChIKeyKQAVGPQKIQRXJP-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.82
Rot. Bonds

About 11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene

11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene (PubChem CID 70288039) has the molecular formula C15H11N and a molecular weight of 205.26 g/mol. Its IUPAC name is 11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene.

Molecular Properties

Compound Name11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene
PubChem CID70288039
Molecular FormulaC15H11N
Molecular Weight205.26 g/mol
Exact Mass205.09
IUPAC Name11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene
SMILESC1=Cc2cc3c4ccccc4ccc3n2C1
InChIInChI=1S/C15H11N/c1-2-6-13-11(4-1)7-8-15-14(13)10-12-5-3-9-16(12)15/h1-8,10H,9H2
InChIKeyKQAVGPQKIQRXJP-UHFFFAOYSA-N
XLogP3.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene?
The IUPAC name of 11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene (CID 70288039) is 11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene.
What is the SMILES notation for 11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene?
The canonical SMILES for 11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene is C1=Cc2cc3c4ccccc4ccc3n2C1.
What is the InChIKey of 11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene?
The InChIKey is KQAVGPQKIQRXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N/c1-2-6-13-11(4-1)7-8-15-14(13)10-12-5-3-9-16(12)15/h1-8,10H,9H2.
What are the key properties of 11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene?
11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene has a molecular weight of 205.26 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene is sourced from PubChem (CID 70288039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).