tetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide

C83H77Cl4N8Na4O12Ru2S4- — CID 160883880

IUPACtetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide
SMILESCS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].Cc1ccc(C(C)C)cc1.Cl[Ru]Cl.Cl[Ru]Cl.O=S(=O)=O.[CH3-].[CH3-].[Na+].[Na+].[Na+].[Na+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/2C24H16N2.2C10H8N2.C10H14.3CH4O3S.2CH3.4ClH.4Na.O3S.2Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-8(2)10-6-4-9(3)5-7-10;3*1-5(2,3)4;;;;;;;;;;;1-4(2)3;;/h2*1-16H;2*1-8H;4-8H,1-3H3;3*1H3,(H,2,3,4);2*1H3;4*1H;;;;;;;/q;;;;;;;;2*-1;;;;;4*+1;;2*+2/p-7
InChIKeyFDUNABVFFSPYNV-UHFFFAOYSA-G
MW1942.75 g/mol
LogP7.79
Rot. Bonds7

About tetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide

tetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide (PubChem CID 160883880) has the molecular formula C83H77Cl4N8Na4O12Ru2S4- and a molecular weight of 1942.75 g/mol. Its IUPAC name is tetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide.

Molecular Properties

Compound Nametetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide
PubChem CID160883880
Molecular FormulaC83H77Cl4N8Na4O12Ru2S4-
Molecular Weight1942.75 g/mol
Exact Mass1941.10
IUPAC Nametetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide
SMILESCS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].Cc1ccc(C(C)C)cc1.Cl[Ru]Cl.Cl[Ru]Cl.O=S(=O)=O.[CH3-].[CH3-].[Na+].[Na+].[Na+].[Na+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/2C24H16N2.2C10H8N2.C10H14.3CH4O3S.2CH3.4ClH.4Na.O3S.2Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-8(2)10-6-4-9(3)5-7-10;3*1-5(2,3)4;;;;;;;;;;;1-4(2)3;;/h2*1-16H;2*1-8H;4-8H,1-3H3;3*1H3,(H,2,3,4);2*1H3;4*1H;;;;;;;/q;;;;;;;;2*-1;;;;;4*+1;;2*+2/p-7
InChIKeyFDUNABVFFSPYNV-UHFFFAOYSA-G
XLogP7.79
TPSA325.93 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001942.75
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze tetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide with MolForge

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Related Compounds

trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+)
CID 162238835
disodium;4-[7-(4-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;hydrate
CID 22056818
5-(4-methylphenyl)-8-(2-phenyl-5-pyridin-2-ylphenyl)quinoline
CID 171751523
4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
4-chloro-7-phenyl-1,10-phenanthroline
CID 171832712
dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
CID 173138363
tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
CID 173290116
4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
CID 173105288
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine
CID 142512771
4-[4-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]aniline
CID 102574675
2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline
CID 58813339
disodium;4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate;hydrate
CID 141248487

Frequently Asked Questions

What is the IUPAC name of tetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide?
The IUPAC name of tetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide (CID 160883880) is tetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide.
What is the SMILES notation for tetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide?
The canonical SMILES for tetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide is CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].Cc1ccc(C(C)C)cc1.Cl[Ru]Cl.Cl[Ru]Cl.O=S(=O)=O.[CH3-].[CH3-].[Na+].[Na+].[Na+].[Na+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of tetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide?
The InChIKey is FDUNABVFFSPYNV-UHFFFAOYSA-G. The full InChI is InChI=1S/2C24H16N2.2C10H8N2.C10H14.3CH4O3S.2CH3.4ClH.4Na.O3S.2Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-8(2)10-6-4-9(3)5-7-10;3*1-5(2,3)4;;;;;;;;;;;1-4(2)3;;/h2*1-16H;2*1-8H;4-8H,1-3H3;3*1H3,(H,2,3,4);2*1H3;4*1H;;;;;;;/q;;;;;;;;2*-1;;;;;4*+1;;2*+2/p-7.
What are the key properties of tetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide?
tetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide has a molecular weight of 1942.75 g/mol, XLogP of 7.79, 7 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;carbanide;bis(dichlororuthenium);bis(4,7-diphenyl-1,10-phenanthroline);methanesulfonate;1-methyl-4-propan-2-ylbenzene;bis(2-pyridin-2-ylpyridine);sulfur trioxide is sourced from PubChem (CID 160883880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).