bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate

C84H68F24N12O4P4Ru2 — CID 139142277

IUPACbis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.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].c1cnc2c(c1)c1c(c3cccnc32)OCCO1.c1cnc2c(c1)c1c(c3cccnc32)OCCO1
InChIInChI=1S/2C14H10N2O2.4C14H12N2.4F6P.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*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;4*1-7(2,3,4,5)6;;/h2*1-6H,7-8H2;4*3-8H,1-2H3;;;;;;/q;;;;;;4*-1;2*+2
InChIKeyOSRVDZOXORRYCM-UHFFFAOYSA-N
MW2091.54 g/mol
LogP32.23
Rot. Bonds

About bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate

bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate (PubChem CID 139142277) has the molecular formula C84H68F24N12O4P4Ru2 and a molecular weight of 2091.54 g/mol. Its IUPAC name is bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate.

Molecular Properties

Compound Namebis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate
PubChem CID139142277
Molecular FormulaC84H68F24N12O4P4Ru2
Molecular Weight2091.54 g/mol
Exact Mass2092.21
IUPAC Namebis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.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].c1cnc2c(c1)c1c(c3cccnc32)OCCO1.c1cnc2c(c1)c1c(c3cccnc32)OCCO1
InChIInChI=1S/2C14H10N2O2.4C14H12N2.4F6P.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*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;4*1-7(2,3,4,5)6;;/h2*1-6H,7-8H2;4*3-8H,1-2H3;;;;;;/q;;;;;;4*-1;2*+2
InChIKeyOSRVDZOXORRYCM-UHFFFAOYSA-N
XLogP32.23
TPSA191.60 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002091.54
LogP ≤ 532.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[4-(1,10-phenanthrolin-4-yl)butoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5289251
N,N-dimethyl-3-[5-(1,10-phenanthrolin-4-yl)pentoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058672
N,N-dimethyl-3-[6-(1,10-phenanthrolin-4-yl)hexoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058674
N,N-dimethyl-3-[7-(1,10-phenanthrolin-4-yl)heptoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058676
N,N-dimethyl-3-[9-(1,10-phenanthrolin-4-yl)nonoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058678
N,N-dimethyl-3-[11-(1,10-phenanthrolin-4-yl)undecoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058680
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
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
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
Acetonitrile;22,22-dimethyl-23-oxa-2,8,11,17-tetrazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),2,4(9),5,7,10(15),11,13,16,19(24),25,27,29-tridecaene;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 168349233
Copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline
CID 58954179

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate?
The IUPAC name of 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) is bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate.
What is the SMILES notation for bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate?
The canonical SMILES for bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate is Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.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].c1cnc2c(c1)c1c(c3cccnc32)OCCO1.c1cnc2c(c1)c1c(c3cccnc32)OCCO1.
What is the InChIKey of bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate?
The InChIKey is OSRVDZOXORRYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10N2O2.4C14H12N2.4F6P.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*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;4*1-7(2,3,4,5)6;;/h2*1-6H,7-8H2;4*3-8H,1-2H3;;;;;;/q;;;;;;4*-1;2*+2.
What are the key properties of bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate?
bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate has a molecular weight of 2091.54 g/mol, XLogP of 32.23, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dihydro-[1,4]dioxino[2,3-f][1,10]phenanthroline);tetrakis(2,9-dimethyl-1,10-phenanthroline);bis(ruthenium(2+));tetrahexafluorophosphate is sourced from PubChem (CID 139142277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).