tetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium

C84H50N16Ru2 — CID 73010381

IUPACtetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium
SMILES[Ru].[Ru].c1cnc2c(c1)c1nc3ccc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)cc3nc1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C36H18N8.4C12H8N2.2Ru/c1-5-21-29(37-13-1)31-23(7-3-15-39-31)35-33(21)41-25-11-9-19(17-27(25)43-35)20-10-12-26-28(18-20)44-36-24-8-4-16-40-32(24)30-22(34(36)42-26)6-2-14-38-30;4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-18H;4*1-8H;;
InChIKeyBGOYAVNVNFHEQU-UHFFFAOYSA-N
MW1485.58 g/mol
LogP18.87
Rot. Bonds1

About tetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium

tetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium (PubChem CID 73010381) has the molecular formula C84H50N16Ru2 and a molecular weight of 1485.58 g/mol. Its IUPAC name is tetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium.

Molecular Properties

Compound Nametetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium
PubChem CID73010381
Molecular FormulaC84H50N16Ru2
Molecular Weight1485.58 g/mol
Exact Mass1486.25
IUPAC Nametetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium
SMILES[Ru].[Ru].c1cnc2c(c1)c1nc3ccc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)cc3nc1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C36H18N8.4C12H8N2.2Ru/c1-5-21-29(37-13-1)31-23(7-3-15-39-31)35-33(21)41-25-11-9-19(17-27(25)43-35)20-10-12-26-28(18-20)44-36-24-8-4-16-40-32(24)30-22(34(36)42-26)6-2-14-38-30;4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-18H;4*1-8H;;
InChIKeyBGOYAVNVNFHEQU-UHFFFAOYSA-N
XLogP18.87
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds1
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001485.58
LogP ≤ 518.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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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Frequently Asked Questions

What is the IUPAC name of tetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium?
The IUPAC name of tetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium (CID 73010381) is tetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium.
What is the SMILES notation for tetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium?
The canonical SMILES for tetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium is [Ru].[Ru].c1cnc2c(c1)c1nc3ccc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)cc3nc1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of tetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium?
The InChIKey is BGOYAVNVNFHEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H18N8.4C12H8N2.2Ru/c1-5-21-29(37-13-1)31-23(7-3-15-39-31)35-33(21)41-25-11-9-19(17-27(25)43-35)20-10-12-26-28(18-20)44-36-24-8-4-16-40-32(24)30-22(34(36)42-26)6-2-14-38-30;4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-18H;4*1-8H;;.
What are the key properties of tetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium?
tetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium has a molecular weight of 1485.58 g/mol, XLogP of 18.87, 1 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,10-phenanthroline);11-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylquinoxalino[2,3-f][1,10]phenanthroline;ruthenium is sourced from PubChem (CID 73010381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).