11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene

C14H10N2 — CID 159057231

IUPAC11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene
SMILESc1ccc2c3c(ccc2c1)-n1cncc1C3
InChIInChI=1S/C14H10N2/c1-2-4-12-10(3-1)5-6-14-13(12)7-11-8-15-9-16(11)14/h1-6,8-9H,7H2
InChIKeyHARSMTDTRAVITM-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.93
Rot. Bonds

About 11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene

11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene (PubChem CID 159057231) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene.

Molecular Properties

Compound Name11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene
PubChem CID159057231
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene
SMILESc1ccc2c3c(ccc2c1)-n1cncc1C3
InChIInChI=1S/C14H10N2/c1-2-4-12-10(3-1)5-6-14-13(12)7-11-8-15-9-16(11)14/h1-6,8-9H,7H2
InChIKeyHARSMTDTRAVITM-UHFFFAOYSA-N
XLogP2.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene?
The IUPAC name of 11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene (CID 159057231) is 11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene.
What is the SMILES notation for 11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene?
The canonical SMILES for 11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene is c1ccc2c3c(ccc2c1)-n1cncc1C3.
What is the InChIKey of 11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene?
The InChIKey is HARSMTDTRAVITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c1-2-4-12-10(3-1)5-6-14-13(12)7-11-8-15-9-16(11)14/h1-6,8-9H,7H2.
What are the key properties of 11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene?
11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene has a molecular weight of 206.25 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,14-heptaene is sourced from PubChem (CID 159057231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).