bis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate

C70H56Cl4F24N12O4P4Ru2 — CID 139142275

IUPACbis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
SMILESClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1c(c3cccnc32)OCCO1.c1cnc2c(c1)c1c(c3cccnc32)OCCO1
InChIInChI=1S/2C14H10N2O2.4C10H8N2.2CH2Cl2.4F6P.2Ru/c2*1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1-3;4*1-7(2,3,4,5)6;;/h2*1-6H,7-8H2;4*1-8H;2*1H2;;;;;;/q;;;;;;;;4*-1;2*+2
InChIKeyHDCLOBDCWTUOCH-UHFFFAOYSA-N
MW2053.10 g/mol
LogP30.05
Rot. Bonds4

About bis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate

bis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate (PubChem CID 139142275) has the molecular formula C70H56Cl4F24N12O4P4Ru2 and a molecular weight of 2053.10 g/mol. Its IUPAC name is bis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate.

Molecular Properties

Compound Namebis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
PubChem CID139142275
Molecular FormulaC70H56Cl4F24N12O4P4Ru2
Molecular Weight2053.10 g/mol
Exact Mass2052.00
IUPAC Namebis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
SMILESClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1c(c3cccnc32)OCCO1.c1cnc2c(c1)c1c(c3cccnc32)OCCO1
InChIInChI=1S/2C14H10N2O2.4C10H8N2.2CH2Cl2.4F6P.2Ru/c2*1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1-3;4*1-7(2,3,4,5)6;;/h2*1-6H,7-8H2;4*1-8H;2*1H2;;;;;;/q;;;;;;;;4*-1;2*+2
InChIKeyHDCLOBDCWTUOCH-UHFFFAOYSA-N
XLogP30.05
TPSA191.60 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002053.10
LogP ≤ 530.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

7,10-Dimethyl-2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139142276
Bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate
CID 139142277
Tris(acetonitrile);tris(benzo[f]benzimidazol-1-ide);ethoxyethane;tris(palladium(2+));tris(2,5,8,11,14-pentaoxa-20,23-diazatetracyclo[13.12.0.016,21.022,27]heptacosa-1(15),16(21),17,19,22(27),23,25-heptaene);trihexafluorophosphate
CID 139150818
dizinc;4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine;hexakis(1,10-phenanthroline);tetraperchlorate
CID 139197959
Bis(1,10-phenanthroline);2-(1,10-phenanthrolin-5-yloxy)ethanamine;ruthenium
CID 59008922
2,5,8,23,26,29-Hexaoxa-14,17,35,38-tetrazaheptacyclo[28.12.0.09,22.010,15.016,21.031,36.037,42]dotetraconta-1(30),9(22),10(15),11,13,16(21),17,19,31(36),32,34,37(42),38,40-tetradecaene
CID 102574902
Tris(2,5,8,11,14,17-hexaoxa-23,26-diazatetracyclo[16.12.0.019,24.025,30]triaconta-1(18),19(24),20,22,25(30),26,28-heptaene);tris(palladium(2+));tris(4,7-phenanthroline);hexanitrate;heptadecahydrate
CID 139153304

Frequently Asked Questions

What is the IUPAC name of bis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
The IUPAC name of bis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate (CID 139142275) is bis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate.
What is the SMILES notation for bis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
The canonical SMILES for bis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate is ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1c(c3cccnc32)OCCO1.c1cnc2c(c1)c1c(c3cccnc32)OCCO1.
What is the InChIKey of bis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
The InChIKey is HDCLOBDCWTUOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10N2O2.4C10H8N2.2CH2Cl2.4F6P.2Ru/c2*1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1-3;4*1-7(2,3,4,5)6;;/h2*1-6H,7-8H2;4*1-8H;2*1H2;;;;;;/q;;;;;;;;4*-1;2*+2.
What are the key properties of bis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate?
bis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate has a molecular weight of 2053.10 g/mol, XLogP of 30.05, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichloromethane);bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate is sourced from PubChem (CID 139142275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).