15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene

C16H12N2 — CID 14142371

IUPAC15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene
SMILESCn1cccc2c3cc4ccccc4cc3nc1-2
InChIInChI=1S/C16H12N2/c1-18-8-4-7-13-14-9-11-5-2-3-6-12(11)10-15(14)17-16(13)18/h2-10H,1H3
InChIKeyWHJQRAFQJYDTEC-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.83
Rot. Bonds

About 15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene

15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene (PubChem CID 14142371) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene.

Molecular Properties

Compound Name15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene
PubChem CID14142371
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene
SMILESCn1cccc2c3cc4ccccc4cc3nc1-2
InChIInChI=1S/C16H12N2/c1-18-8-4-7-13-14-9-11-5-2-3-6-12(11)10-15(14)17-16(13)18/h2-10H,1H3
InChIKeyWHJQRAFQJYDTEC-UHFFFAOYSA-N
XLogP3.83
TPSA17.82 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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-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

6-chloro-1-methylpyrido[2,3-b]indole
CID 15135768
N,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine
CID 135058147
2,3-dimethylbenzo[g]quinazolin-4-one
CID 95562416
9-(1-methylbenzimidazol-2-yl)pyrrolo[1,2-b]isoquinoline
CID 138616353
3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium
CID 154594823
(2-methylbenzo[g]quinazolin-4-yl)hydrazine
CID 106583878
1-naphthalen-2-ylacridine
CID 91364116
6,13-dimethylpentacene;ethane
CID 123724624
2-fluoranthen-3-yl-1-methylbenzimidazole
CID 121287547
4-methoxy-3-methyl-2-(2-methylphenyl)benzo[g]quinazolin-3-ium
CID 159859700
1-methyl-2-[8-(1-methylbenzo[e]benzimidazol-2-yl)-10-naphthalen-1-ylanthracen-1-yl]benzo[e]benzimidazole
CID 155333143
1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
CID 118055725

Frequently Asked Questions

What is the IUPAC name of 15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene?
The IUPAC name of 15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene (CID 14142371) is 15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene.
What is the SMILES notation for 15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene?
The canonical SMILES for 15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene is Cn1cccc2c3cc4ccccc4cc3nc1-2.
What is the InChIKey of 15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene?
The InChIKey is WHJQRAFQJYDTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-18-8-4-7-13-14-9-11-5-2-3-6-12(11)10-15(14)17-16(13)18/h2-10H,1H3.
What are the key properties of 15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene?
15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene has a molecular weight of 232.29 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-15,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,16-octaene is sourced from PubChem (CID 14142371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).