quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline

C36H20N8 — CID 118008961

IUPACquinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
SMILESc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4ncccc4c4ncccc4c3nc2c1
InChIInChI=1S/2C18H10N4/c1-2-8-14-13(7-1)21-17-12-6-4-9-19-15(12)11-5-3-10-20-16(11)18(17)22-14;1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16/h2*1-10H
InChIKeyNYSFSTUOWMCKBC-UHFFFAOYSA-N
MW564.61 g/mol
LogP7.76
Rot. Bonds

About quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline

quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 118008961) has the molecular formula C36H20N8 and a molecular weight of 564.61 g/mol. Its IUPAC name is quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Namequinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
PubChem CID118008961
Molecular FormulaC36H20N8
Molecular Weight564.61 g/mol
Exact Mass564.18
IUPAC Namequinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
SMILESc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4ncccc4c4ncccc4c3nc2c1
InChIInChI=1S/2C18H10N4/c1-2-8-14-13(7-1)21-17-12-6-4-9-19-15(12)11-5-3-10-20-16(11)18(17)22-14;1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16/h2*1-10H
InChIKeyNYSFSTUOWMCKBC-UHFFFAOYSA-N
XLogP7.76
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.61
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 76514831
bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 56973553
platinum(2+);6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;chloride
CID 71543302
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
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
3-methyl-3,8,14,21-tetrazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),2(6),4,7(12),8,10,13,15,17,19-decaene
CID 140949440
4,10,13,19,23,29,32,38-octazanonacyclo[20.16.0.03,20.05,18.06,11.012,17.024,37.025,30.031,36]octatriaconta-1(22),2,4,6(11),7,9,12(17),13,15,18,20,23,25(30),26,28,31(36),32,34,37-nonadecaene;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrachloride
CID 71762373
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
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
quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile
CID 91283468
5-pyridin-2-yl-6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8(13),9,11,14,16,18,20,22,24-tridecaene
CID 102037216
7-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539

Frequently Asked Questions

What is the IUPAC name of quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline?
The IUPAC name of quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline (CID 118008961) is quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline?
The canonical SMILES for quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline is c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4ncccc4c4ncccc4c3nc2c1.
What is the InChIKey of quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline?
The InChIKey is NYSFSTUOWMCKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H10N4/c1-2-8-14-13(7-1)21-17-12-6-4-9-19-15(12)11-5-3-10-20-16(11)18(17)22-14;1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16/h2*1-10H.
What are the key properties of quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline?
quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline has a molecular weight of 564.61 g/mol, XLogP of 7.76, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 118008961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).