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

C17H9N5 — CID 168875580

IUPAC5,9,15,17,22-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
SMILESc1cnc2nc3c4cccnc4c4cnccc4c3nc2c1
InChIInChI=1S/C17H9N5/c1-3-11-14(19-6-1)12-9-18-8-5-10(12)15-16(11)22-17-13(21-15)4-2-7-20-17/h1-9H
InChIKeyGZTQKSSFYYRNSF-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.27
Rot. Bonds

About 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

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 (PubChem CID 168875580) has the molecular formula C17H9N5 and a molecular weight of 283.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,9,15,17,22-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
PubChem CID168875580
Molecular FormulaC17H9N5
Molecular Weight283.29 g/mol
Exact Mass283.09
IUPAC Name5,9,15,17,22-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
SMILESc1cnc2nc3c4cccnc4c4cnccc4c3nc2c1
InChIInChI=1S/C17H9N5/c1-3-11-14(19-6-1)12-9-18-8-5-10(12)15-16(11)22-17-13(21-15)4-2-7-20-17/h1-9H
InChIKeyGZTQKSSFYYRNSF-UHFFFAOYSA-N
XLogP3.27
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
1,8-phenanthroline-5,6-diamine
CID 102119892
benzo[f][1,7]phenanthroline;bis(benzo[f][1,8]phenanthroline);benzo[f][1,9]phenanthroline;benzo[f][3,8]phenanthroline;ethane;phenanthro[9,10-b]pyrazine;phenanthro[9,10-d]pyrimidine
CID 159905884
phenazine;pyrido[3,2-b]quinoxaline
CID 134346125
2-methylpyrrolo[3,4-f][2,7]phenanthroline
CID 140950302
bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 56973553
6,21-diazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaene
CID 129303441
bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 76514831
1-methylpyrrolo[2,3-f][3,7]phenanthroline
CID 140949061
2,4,9,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene
CID 5357496
CID 159892394
CID 159892394

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cnc2nc3c4cccnc4c4cnccc4c3nc2c1.
What is the InChIKey of 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?
The InChIKey is GZTQKSSFYYRNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9N5/c1-3-11-14(19-6-1)12-9-18-8-5-10(12)15-16(11)22-17-13(21-15)4-2-7-20-17/h1-9H.
What are the key properties of 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?
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 has a molecular weight of 283.29 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168875580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).