6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene

C14H8N2 — CID 10465507

IUPAC6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
SMILESc1cc2cncc3ccc4cncc1c4c23
InChIInChI=1S/C14H8N2/c1-2-10-6-16-8-12-4-3-11-7-15-5-9(1)13(11)14(10)12/h1-8H
InChIKeyZPIPUFJBRZFYKJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP3.37
Rot. Bonds

About 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene

6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene (PubChem CID 10465507) has the molecular formula C14H8N2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene.

Molecular Properties

Compound Name6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
PubChem CID10465507
Molecular FormulaC14H8N2
Molecular Weight204.23 g/mol
Exact Mass204.07
IUPAC Name6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
SMILESc1cc2cncc3ccc4cncc1c4c23
InChIInChI=1S/C14H8N2/c1-2-10-6-16-8-12-4-3-11-7-15-5-9(1)13(11)14(10)12/h1-8H
InChIKeyZPIPUFJBRZFYKJ-UHFFFAOYSA-N
XLogP3.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene?
The IUPAC name of 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene (CID 10465507) is 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene.
What is the SMILES notation for 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene?
The canonical SMILES for 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene is c1cc2cncc3ccc4cncc1c4c23.
What is the InChIKey of 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene?
The InChIKey is ZPIPUFJBRZFYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2/c1-2-10-6-16-8-12-4-3-11-7-15-5-9(1)13(11)14(10)12/h1-8H.
What are the key properties of 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene?
6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene has a molecular weight of 204.23 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene is sourced from PubChem (CID 10465507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).