11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)

C44H30N8O2Ru+2 — CID 139247806

IUPAC11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)
SMILESCOc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1OC.[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C20H14N4O2.2C12H8N2.Ru/c1-25-15-9-13-14(10-16(15)26-2)24-20-12-6-4-8-22-18(12)17-11(19(20)23-13)5-3-7-21-17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3-10H,1-2H3;2*1-8H;/q;;;+2
InChIKeyGPXDOIUARWFGLP-UHFFFAOYSA-N
MW803.85 g/mol
LogP9.46
Rot. Bonds2

About 11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)

11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+) (PubChem CID 139247806) has the molecular formula C44H30N8O2Ru+2 and a molecular weight of 803.85 g/mol. Its IUPAC name is 11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+).

Molecular Properties

Compound Name11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)
PubChem CID139247806
Molecular FormulaC44H30N8O2Ru+2
Molecular Weight803.85 g/mol
Exact Mass804.15
IUPAC Name11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)
SMILESCOc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1OC.[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C20H14N4O2.2C12H8N2.Ru/c1-25-15-9-13-14(10-16(15)26-2)24-20-12-6-4-8-22-18(12)17-11(19(20)23-13)5-3-7-21-17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3-10H,1-2H3;2*1-8H;/q;;;+2
InChIKeyGPXDOIUARWFGLP-UHFFFAOYSA-N
XLogP9.46
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.85
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+) 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

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
11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium
CID 162460175
5-methoxy-1,7-phenanthroline
CID 67576947
bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 56973553
3,5-dimethoxy-N,N-diphenyl-4-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylaniline
CID 132537800
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
7-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539
2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride
CID 140537308
quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
CID 118008961
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
7-methoxy-8-phenylmethoxyquinoline
CID 67057987

Frequently Asked Questions

What is the IUPAC name of 11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)?
The IUPAC name of 11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+) (CID 139247806) is 11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+).
What is the SMILES notation for 11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)?
The canonical SMILES for 11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+) is COc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1OC.[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)?
The InChIKey is GPXDOIUARWFGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2.2C12H8N2.Ru/c1-25-15-9-13-14(10-16(15)26-2)24-20-12-6-4-8-22-18(12)17-11(19(20)23-13)5-3-7-21-17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3-10H,1-2H3;2*1-8H;/q;;;+2.
What are the key properties of 11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)?
11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+) has a molecular weight of 803.85 g/mol, XLogP of 9.46, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+) is sourced from PubChem (CID 139247806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).