2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene

C15H12N2 — CID 90718109

IUPAC2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene
SMILESC1=C2CCC(=C1)N1C=c3ccccc3=NC=C21
InChIInChI=1S/C15H12N2/c1-2-4-14-12(3-1)10-17-13-7-5-11(6-8-13)15(17)9-16-14/h1-5,7,9-10H,6,8H2
InChIKeyVUMIVTAKUGYPGV-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.82
Rot. Bonds

About 2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene

2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene (PubChem CID 90718109) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene
PubChem CID90718109
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene
SMILESC1=C2CCC(=C1)N1C=c3ccccc3=NC=C21
InChIInChI=1S/C15H12N2/c1-2-4-14-12(3-1)10-17-13-7-5-11(6-8-13)15(17)9-16-14/h1-5,7,9-10H,6,8H2
InChIKeyVUMIVTAKUGYPGV-UHFFFAOYSA-N
XLogP1.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene 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

Hexahydroindolo[2,3-a]quinolizine
CID 18963250
7a,10-Diazacyclohepta[def]fluorene
CID 129793584
1-butylpiperidine;3,3-difluoro-2H-acridine
CID 160676935
6,7-Dihydroindolo[2,3-a]quinolizine
CID 85538892
1,11-Diazatetracyclo[13.2.2.04,12.05,10]nonadeca-2,4,6,8,10,12,14-heptaene
CID 54020179
1,4-Diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene
CID 69345662
N,N,7-trimethyl-8-methylimino-4,9-dihydroquinolizin-1-amine
CID 90851840
5,9-Diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,10,13(17),14-hexaene
CID 91529404
2,7-Dimethyl-4,6,8,9-tetrahydropyrido[4,3-b]azepine
CID 134406498
2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine
CID 141336007
(3Z)-N-ethenyl-3-ethylidene-1-methylpiperidin-4-imine
CID 143453432
1-(4-Diazocyclohexa-1,5-dien-1-yl)piperidine
CID 154116078

Frequently Asked Questions

What is the IUPAC name of 2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene?
The IUPAC name of 2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene (CID 90718109) is 2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene.
What is the SMILES notation for 2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene?
The canonical SMILES for 2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene is C1=C2CCC(=C1)N1C=c3ccccc3=NC=C21.
What is the InChIKey of 2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene?
The InChIKey is VUMIVTAKUGYPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c1-2-4-14-12(3-1)10-17-13-7-5-11(6-8-13)15(17)9-16-14/h1-5,7,9-10H,6,8H2.
What are the key properties of 2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene?
2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene has a molecular weight of 220.28 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-1(15),3,5,7,9,11,13-heptaene is sourced from PubChem (CID 90718109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).