5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

C14H10N2 — CID 144848540

IUPAC5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
SMILESc1ccc2c(c1)Cc1[nH]c3cnccc3c1-2
InChIInChI=1S/C14H10N2/c1-2-4-10-9(3-1)7-12-14(10)11-5-6-15-8-13(11)16-12/h1-6,8,16H,7H2
InChIKeyNLOVYHCWVBJHQD-UHFFFAOYSA-N
MW206.25 g/mol
LogP3.13
Rot. Bonds

About 5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (PubChem CID 144848540) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene.

Molecular Properties

Compound Name5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
PubChem CID144848540
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
SMILESc1ccc2c(c1)Cc1[nH]c3cnccc3c1-2
InChIInChI=1S/C14H10N2/c1-2-4-10-9(3-1)7-12-14(10)11-5-6-15-8-13(11)16-12/h1-6,8,16H,7H2
InChIKeyNLOVYHCWVBJHQD-UHFFFAOYSA-N
XLogP3.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The IUPAC name of 5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (CID 144848540) is 5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene.
What is the SMILES notation for 5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The canonical SMILES for 5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is c1ccc2c(c1)Cc1[nH]c3cnccc3c1-2.
What is the InChIKey of 5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The InChIKey is NLOVYHCWVBJHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c1-2-4-10-9(3-1)7-12-14(10)11-5-6-15-8-13(11)16-12/h1-6,8,16H,7H2.
What are the key properties of 5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene has a molecular weight of 206.25 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is sourced from PubChem (CID 144848540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).