manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate)

C92H70MnN6O8 — CID 139196571

IUPACmanganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate)
SMILES[Mn+2].[O-]c1c2cccc1Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)C2.[O-]c1c2cccc1Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)C2.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C28H24O4.3C12H8N2.Mn/c2*29-25-17-5-1-6-18(25)14-20-8-3-10-22(27(20)31)16-24-12-4-11-23(28(24)32)15-21-9-2-7-19(13-17)26(21)30;3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*1-12,29-32H,13-16H2;3*1-8H;/q;;;;;+2/p-2
InChIKeyYFDANMMJOSMLQB-UHFFFAOYSA-L
MW1442.54 g/mol
LogP17.45
Rot. Bonds

About manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate)

manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate) (PubChem CID 139196571) has the molecular formula C92H70MnN6O8 and a molecular weight of 1442.54 g/mol. Its IUPAC name is manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate).

Molecular Properties

Compound Namemanganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate)
PubChem CID139196571
Molecular FormulaC92H70MnN6O8
Molecular Weight1442.54 g/mol
Exact Mass1441.46
IUPAC Namemanganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate)
SMILES[Mn+2].[O-]c1c2cccc1Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)C2.[O-]c1c2cccc1Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)C2.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C28H24O4.3C12H8N2.Mn/c2*29-25-17-5-1-6-18(25)14-20-8-3-10-22(27(20)31)16-24-12-4-11-23(28(24)32)15-21-9-2-7-19(13-17)26(21)30;3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*1-12,29-32H,13-16H2;3*1-8H;/q;;;;;+2/p-2
InChIKeyYFDANMMJOSMLQB-UHFFFAOYSA-L
XLogP17.45
TPSA244.84 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001442.54
LogP ≤ 517.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate) with MolForge

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Related Compounds

Carbanide;4,7-diphenyl-1,10-phenanthroline;europium;bis(1,10-phenanthroline);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 157396727
Carbanide;1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;4,7-diphenyl-1,10-phenanthroline;europium;bis(1,10-phenanthroline);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone;tris(2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone)
CID 159556120
Tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tetrakis(1,10-phenanthroline);bis(1,1,1-trifluoro-2-methylpropan-2-ol);bis(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 160478794
Carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone)
CID 161234990
Bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;tris(1,10-phenanthroline);1,1,1-trifluoro-2-methylpropan-2-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 161955022
4-Tert-butyl-2-[9-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-1,10-phenanthrolin-2-yl]-6-pyridin-2-ylphenol
CID 135961661
Tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))
CID 139044461
bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine)
CID 139049924
Bis(5-methylbenzene-1,3-diol);bis(1,10-phenanthroline);2,3,5,6-tetramethylpyrazine
CID 139049955
Bis{mu~3~-(E)-2-[(2-oxidobenzylidene)amino]phenolato}bis{mu~2~-(E)-2-[(2-oxidobenzylidene)amino]phenolato}bis(1,10-phenanthroline)tetracobalt(II)
CID 139062343
Bis[2-(4-hydroxyphenyl)acetato-kappaO]bis(1,10-phenanthroline-kappa^2^N,N')cadmium pentahydrate
CID 139080489
Dicopper;bis((2,6-dimethylphenyl) phosphate);methanol;bis(1,10-phenanthroline)
CID 139126293

Frequently Asked Questions

What is the IUPAC name of manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate)?
The IUPAC name of manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate) (CID 139196571) is manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate).
What is the SMILES notation for manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate)?
The canonical SMILES for manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate) is [Mn+2].[O-]c1c2cccc1Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)C2.[O-]c1c2cccc1Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)C2.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate)?
The InChIKey is YFDANMMJOSMLQB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C28H24O4.3C12H8N2.Mn/c2*29-25-17-5-1-6-18(25)14-20-8-3-10-22(27(20)31)16-24-12-4-11-23(28(24)32)15-21-9-2-7-19(13-17)26(21)30;3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*1-12,29-32H,13-16H2;3*1-8H;/q;;;;;+2/p-2.
What are the key properties of manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate)?
manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate) has a molecular weight of 1442.54 g/mol, XLogP of 17.45, 0 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate) is sourced from PubChem (CID 139196571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).