11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C16H12N2 — CID 42638865

IUPAC11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESCc1nnc(C)c2c1-c1cccc3cccc-2c13
InChIInChI=1S/C16H12N2/c1-9-14-12-7-3-5-11-6-4-8-13(16(11)12)15(14)10(2)18-17-9/h3-8H,1-2H3
InChIKeyHFRPQHGHJNPNEL-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.89
Rot. Bonds

About 11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 42638865) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID42638865
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESCc1nnc(C)c2c1-c1cccc3cccc-2c13
InChIInChI=1S/C16H12N2/c1-9-14-12-7-3-5-11-6-4-8-13(16(11)12)15(14)10(2)18-17-9/h3-8H,1-2H3
InChIKeyHFRPQHGHJNPNEL-UHFFFAOYSA-N
XLogP3.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_Da(2)', 'substructure': 'N/A'}

Analyze 11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-(10-trimethylsilylfluoranthen-7-yl)silane
CID 10970070
2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol
CID 135879769
fluoranthene
CID 139203734
11,14-bis(2-bromophenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 91603904
7,12-dimethylpleiadene
CID 132501429
fluoranthene;toluene
CID 173324369
trimethyl-[2-[10-(2-trimethylsilylethynyl)fluoranthen-7-yl]ethynyl]silane
CID 10949276
2-fluoranthen-7-yl-4-methylpyridine
CID 170382239
trimethyl-(16-methyl-15-azaheptacyclo[15.6.2.13,7.02,12.014,24.021,25.011,26]hexacosa-1(24),2(12),3,5,7(26),8,10,13,15,17,19,21(25),22-tridecaen-13-yl)silane
CID 102597671
13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 155378227
7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene
CID 158890209
7,10-dimethyl-8-(4-methylphenyl)fluoranthene
CID 12713914

Frequently Asked Questions

What is the IUPAC name of 11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 42638865) is 11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is Cc1nnc(C)c2c1-c1cccc3cccc-2c13.
What is the InChIKey of 11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is HFRPQHGHJNPNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-9-14-12-7-3-5-11-6-4-8-13(16(11)12)15(14)10(2)18-17-9/h3-8H,1-2H3.
What are the key properties of 11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 232.29 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 42638865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).