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

C42H25BrN8Ru — CID 162460175

IUPAC11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium
SMILESBrc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C18H9BrN4.2C12H8N2.Ru/c19-10-5-6-13-14(9-10)23-18-12-4-2-8-21-16(12)15-11(17(18)22-13)3-1-7-20-15;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-9H;2*1-8H;
InChIKeyIWMDRKASFCELAV-UHFFFAOYSA-N
MW822.69 g/mol
LogP10.21
Rot. Bonds

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

11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium (PubChem CID 162460175) has the molecular formula C42H25BrN8Ru and a molecular weight of 822.69 g/mol. Its IUPAC name is 11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium.

Molecular Properties

Compound Name11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium
PubChem CID162460175
Molecular FormulaC42H25BrN8Ru
Molecular Weight822.69 g/mol
Exact Mass822.04
IUPAC Name11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium
SMILESBrc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C18H9BrN4.2C12H8N2.Ru/c19-10-5-6-13-14(9-10)23-18-12-4-2-8-21-16(12)15-11(17(18)22-13)3-1-7-20-15;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-9H;2*1-8H;
InChIKeyIWMDRKASFCELAV-UHFFFAOYSA-N
XLogP10.21
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.69
LogP ≤ 510.21
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

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
11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)
CID 139247806
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CID 76514831
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CID 129208702
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CID 118008961
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CID 15001085
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CID 91283468
bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 56973553
3-bromo-1,10-phenanthroline;ruthenium
CID 59061228
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
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Frequently Asked Questions

What is the IUPAC name of 11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium?
The IUPAC name of 11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium (CID 162460175) is 11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium.
What is the SMILES notation for 11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium?
The canonical SMILES for 11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium is Brc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium?
The InChIKey is IWMDRKASFCELAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9BrN4.2C12H8N2.Ru/c19-10-5-6-13-14(9-10)23-18-12-4-2-8-21-16(12)15-11(17(18)22-13)3-1-7-20-15;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-9H;2*1-8H;.
What are the key properties of 11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium?
11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium has a molecular weight of 822.69 g/mol, XLogP of 10.21, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium is sourced from PubChem (CID 162460175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).