(6Z,10aZ)-benzo[c][1,6]benzodiazocine

C14H10N2 — CID 11969075

IUPAC(6Z,10aZ)-benzo[c][1,6]benzodiazocine
SMILESC1=c2/cccc/c2=C/N=c2/cccc/c2=N/1
InChIInChI=1S/C14H10N2/c1-2-6-12-10-16-14-8-4-3-7-13(14)15-9-11(12)5-1/h1-10H/b11-9-,12-10-,15-9-,15-13-,16-10-,16-14-
InChIKeyUKJVZYJYAQXAMT-LMTXGQSFSA-N
MW206.25 g/mol
LogP0.12
Rot. Bonds

About (6Z,10aZ)-benzo[c][1,6]benzodiazocine

(6Z,10aZ)-benzo[c][1,6]benzodiazocine (PubChem CID 11969075) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (6Z,10aZ)-benzo[c][1,6]benzodiazocine.

Molecular Properties

Compound Name(6Z,10aZ)-benzo[c][1,6]benzodiazocine
PubChem CID11969075
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name(6Z,10aZ)-benzo[c][1,6]benzodiazocine
SMILESC1=c2/cccc/c2=C/N=c2/cccc/c2=N/1
InChIInChI=1S/C14H10N2/c1-2-6-12-10-16-14-8-4-3-7-13(14)15-9-11(12)5-1/h1-10H/b11-9-,12-10-,15-9-,15-13-,16-10-,16-14-
InChIKeyUKJVZYJYAQXAMT-LMTXGQSFSA-N
XLogP0.12
TPSA24.72 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 ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrabenzo(B,D,H,J)(1,6)diazacyclododecine
CID 91869782
Tetrabenzo[b,f,j,n][1,5,9,13]tetraazacyclohexadecine
CID 171086
6,12-Dichlorobenzo[c][1,5]benzodiazocine
CID 13507302
(6Z,12Z)-benzo[c][1,5]benzodiazocine
CID 15960347
(1Z)-1-Benzazocine
CID 17846319
5H-Indole
CID 20712154
2H-1,4-Benzodiazepine
CID 21162934
Pyrrolo[2,3-f]indole
CID 21252022
2,3-Dihydro-quinoxaline
CID 21885942
Pyrrolo(2,3-b)carbazole
CID 21888088
3h-Quinoline
CID 22027752
Dibenz[b,f]azocine
CID 23633137

Frequently Asked Questions

What is the IUPAC name of (6Z,10aZ)-benzo[c][1,6]benzodiazocine?
The IUPAC name of (6Z,10aZ)-benzo[c][1,6]benzodiazocine (CID 11969075) is (6Z,10aZ)-benzo[c][1,6]benzodiazocine.
What is the SMILES notation for (6Z,10aZ)-benzo[c][1,6]benzodiazocine?
The canonical SMILES for (6Z,10aZ)-benzo[c][1,6]benzodiazocine is C1=c2/cccc/c2=C/N=c2/cccc/c2=N/1.
What is the InChIKey of (6Z,10aZ)-benzo[c][1,6]benzodiazocine?
The InChIKey is UKJVZYJYAQXAMT-LMTXGQSFSA-N. The full InChI is InChI=1S/C14H10N2/c1-2-6-12-10-16-14-8-4-3-7-13(14)15-9-11(12)5-1/h1-10H/b11-9-,12-10-,15-9-,15-13-,16-10-,16-14-.
What are the key properties of (6Z,10aZ)-benzo[c][1,6]benzodiazocine?
(6Z,10aZ)-benzo[c][1,6]benzodiazocine has a molecular weight of 206.25 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,10aZ)-benzo[c][1,6]benzodiazocine is sourced from PubChem (CID 11969075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).