15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene

C22H12N4 — CID 6612188

IUPAC15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
SMILESc1ccc2nc3nc4c5ccccc5c5ccccc5c4nc3nc2c1
InChIInChI=1S/C22H12N4/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)25-21-22(26-20)24-18-12-6-5-11-17(18)23-21/h1-12H
InChIKeyAJXDKSNLSBCLFJ-UHFFFAOYSA-N
MW332.37 g/mol
LogP5.03
Rot. Bonds

About 15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene

15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene (PubChem CID 6612188) has the molecular formula C22H12N4 and a molecular weight of 332.37 g/mol. Its IUPAC name is 15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene.

Molecular Properties

Compound Name15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
PubChem CID6612188
Molecular FormulaC22H12N4
Molecular Weight332.37 g/mol
Exact Mass332.11
IUPAC Name15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
SMILESc1ccc2nc3nc4c5ccccc5c5ccccc5c4nc3nc2c1
InChIInChI=1S/C22H12N4/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)25-21-22(26-20)24-18-12-6-5-11-17(18)23-21/h1-12H
InChIKeyAJXDKSNLSBCLFJ-UHFFFAOYSA-N
XLogP5.03
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene with MolForge

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Related Compounds

1,2,3,4-tetrafluoroquinoxalino[2,3-b]quinoxaline
CID 58084932
ethane;6,9,15,17,22-pentazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16(21),17,19-undecaene
CID 145351041
quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
CID 118008961
phenazine;silver
CID 175026023
hydron;phenazine
CID 175446889
benzo[b]phenazine-6,11-dicarboxylic acid
CID 154692279
benzo[e]pyrene;phenazine
CID 174928113
4-chlorocinnolino[4,3-b]quinoxaline
CID 10445667
5,7-dimethylphenanthro[9,10-b]quinoxaline
CID 165358551
4,5,10,11,16,17-hexakis-phenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene;3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene;3,18,21,28,31,46-hexazaundecacyclo[28.16.0.02,19.04,17.05,10.011,16.020,29.022,27.032,45.033,38.039,44]hexatetraconta-1(46),2,4(17),5,7,9,11,13,15,18,20,22,24,26,28,30,32(45),33,35,37,39,41,43-tricosaene;4,10,16-trimethyl-5,11,17-triphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 160924410
5,9,15,17,22-pentazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16(21),17,19-undecaene
CID 168875580
6,9-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 87476732

Frequently Asked Questions

What is the IUPAC name of 15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene?
The IUPAC name of 15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene (CID 6612188) is 15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene.
What is the SMILES notation for 15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene?
The canonical SMILES for 15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene is c1ccc2nc3nc4c5ccccc5c5ccccc5c4nc3nc2c1.
What is the InChIKey of 15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene?
The InChIKey is AJXDKSNLSBCLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N4/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)25-21-22(26-20)24-18-12-6-5-11-17(18)23-21/h1-12H.
What are the key properties of 15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene?
15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene has a molecular weight of 332.37 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene is sourced from PubChem (CID 6612188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).