1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene

C14H10N2 — CID 139244999

IUPAC1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene
SMILESc1cc2ccn3cccc4ccn(c1)c2=c43
InChIInChI=1S/C14H10N2/c1-3-11-5-10-16-8-2-4-12-6-9-15(7-1)13(11)14(12)16/h1-10H
InChIKeyMZWOUXOHVSRVSB-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.92
Rot. Bonds

About 1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene

1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene (PubChem CID 139244999) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene.

Molecular Properties

Compound Name1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene
PubChem CID139244999
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene
SMILESc1cc2ccn3cccc4ccn(c1)c2=c43
InChIInChI=1S/C14H10N2/c1-3-11-5-10-16-8-2-4-12-6-9-15(7-1)13(11)14(12)16/h1-10H
InChIKeyMZWOUXOHVSRVSB-UHFFFAOYSA-N
XLogP2.92
TPSA8.82 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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene?
The IUPAC name of 1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene (CID 139244999) is 1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene.
What is the SMILES notation for 1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene?
The canonical SMILES for 1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene is c1cc2ccn3cccc4ccn(c1)c2=c43.
What is the InChIKey of 1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene?
The InChIKey is MZWOUXOHVSRVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c1-3-11-5-10-16-8-2-4-12-6-9-15(7-1)13(11)14(12)16/h1-10H.
What are the key properties of 1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene?
1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene has a molecular weight of 206.25 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,9,11,13,15-heptaene is sourced from PubChem (CID 139244999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).