14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene

C16H12N2 — CID 20583393

IUPAC14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene
SMILESCN1C=Cc2c3ccccc3nc3cccc1c23
InChIInChI=1S/C16H12N2/c1-18-10-9-12-11-5-2-3-6-13(11)17-14-7-4-8-15(18)16(12)14/h2-10H,1H3
InChIKeyYVWQOKIRPQRECC-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.81
Rot. Bonds

About 14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene

14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene (PubChem CID 20583393) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene.

Molecular Properties

Compound Name14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene
PubChem CID20583393
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene
SMILESCN1C=Cc2c3ccccc3nc3cccc1c23
InChIInChI=1S/C16H12N2/c1-18-10-9-12-11-5-2-3-6-13(11)17-14-7-4-8-15(18)16(12)14/h2-10H,1H3
InChIKeyYVWQOKIRPQRECC-UHFFFAOYSA-N
XLogP3.81
TPSA16.13 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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(1,2,2,3-tetramethylperimidin-6-yl)acridine
CID 91199598
9-(3-methyl-2H-imidazol-1-yl)acridine
CID 102345750
14-(3,5-dimethylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-15-one
CID 139223995
14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene
CID 151657750
9-(1-acridin-9-ylethyl)acridine
CID 118649577
benzo[e]pyrene;phenazine
CID 174928113
acridin-9-amine;λ2-plumbane
CID 173496858
1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline]
CID 19084178
N-[2-(4-methylpiperazin-1-yl)ethyl]benzo[a]acridin-12-amine;hydrochloride
CID 44531630
1-methylperimidine-6-carbaldehyde
CID 86258817
1-ethylsulfanylacridin-9-amine
CID 13048104
12-chloro-14-methyl-15λ6-thia-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene 15,15-dioxide
CID 11231994

Frequently Asked Questions

What is the IUPAC name of 14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene?
The IUPAC name of 14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene (CID 20583393) is 14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene.
What is the SMILES notation for 14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene?
The canonical SMILES for 14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene is CN1C=Cc2c3ccccc3nc3cccc1c23.
What is the InChIKey of 14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene?
The InChIKey is YVWQOKIRPQRECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-18-10-9-12-11-5-2-3-6-13(11)17-14-7-4-8-15(18)16(12)14/h2-10H,1H3.
What are the key properties of 14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene?
14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene has a molecular weight of 232.29 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene is sourced from PubChem (CID 20583393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).