(6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine

C16H14N2 — CID 58612544

IUPAC(6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine
SMILESCC1=c2\cccc\c2=C(C)\N=c2\cccc\c2=N\1
InChIInChI=1S/C16H14N2/c1-11-13-7-3-4-8-14(13)12(2)18-16-10-6-5-9-15(16)17-11/h3-10H,1-2H3/b13-11-,14-12-,17-11-,17-15-,18-12-,18-16-
InChIKeyOELBDEMLNPEZBD-AEISYFOTSA-N
MW234.30 g/mol
LogP0.90
Rot. Bonds

About (6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine

(6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine (PubChem CID 58612544) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine.

Molecular Properties

Compound Name(6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine
PubChem CID58612544
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name(6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine
SMILESCC1=c2\cccc\c2=C(C)\N=c2\cccc\c2=N\1
InChIInChI=1S/C16H14N2/c1-11-13-7-3-4-8-14(13)12(2)18-16-10-6-5-9-15(16)17-11/h3-10H,1-2H3/b13-11-,14-12-,17-11-,17-15-,18-12-,18-16-
InChIKeyOELBDEMLNPEZBD-AEISYFOTSA-N
XLogP0.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,12-Dichlorobenzo[c][1,5]benzodiazocine
CID 13507302
(6Z,12Z)-benzo[c][1,5]benzodiazocine
CID 15960347
Dibenz[b,f]azocine
CID 23633137
6,12-Dimethylindolo[3,2-b]carbazole
CID 66723768
2-Methylbenzazete
CID 123769494
Dibenzo[b,f][1,4]diazocine
CID 11969075
4-Methyl-2-(4-methylcyclopenta[b]pyridin-2-ylidene)cyclopenta[b]pyridine
CID 11250719
Dibenzo[1,4]diazocine
CID 132427026
(1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 134980390
(1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 134989464
CID 164683315
CID 164683315
3,9,15-Trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 10689287

Frequently Asked Questions

What is the IUPAC name of (6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine?
The IUPAC name of (6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine (CID 58612544) is (6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine.
What is the SMILES notation for (6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine?
The canonical SMILES for (6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine is CC1=c2\cccc\c2=C(C)\N=c2\cccc\c2=N\1.
What is the InChIKey of (6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine?
The InChIKey is OELBDEMLNPEZBD-AEISYFOTSA-N. The full InChI is InChI=1S/C16H14N2/c1-11-13-7-3-4-8-14(13)12(2)18-16-10-6-5-9-15(16)17-11/h3-10H,1-2H3/b13-11-,14-12-,17-11-,17-15-,18-12-,18-16-.
What are the key properties of (6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine?
(6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine has a molecular weight of 234.30 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine is sourced from PubChem (CID 58612544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).