actinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide

C107H102AcBBr4F4N3O11S — CID 159969193

IUPACactinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
SMILESBrc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.C.C.C.C.C.C.CC(=O)c1ccccc1.Fc1ccc(F)c(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)c1.O=C(/C=C/c1ccccc1)c1ccc(Br)cc1.O=C(C[n+]1ccccc1)c1ccccc1.O=Cc1ccc(Br)cc1.O=S(=O)(O)OO.OB(O)c1cc(F)ccc1F.[Ac].[Br-]
InChIInChI=1S/C29H19F2N.C23H16BrN.C15H11BrO.C13H12NO.C8H8O.C7H5BrO.C6H5BF2O2.6CH4.Ac.BrH.H2O5S/c30-25-15-16-27(31)26(19-25)21-11-13-23(14-12-21)29-18-24(20-7-3-1-4-8-20)17-28(32-29)22-9-5-2-6-10-22;24-21-13-11-19(12-14-21)23-16-20(17-7-3-1-4-8-17)15-22(25-23)18-9-5-2-6-10-18;16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;1-7(9)8-5-3-2-4-6-8;8-7-3-1-6(5-9)2-4-7;8-4-1-2-6(9)5(3-4)7(10)11;;;;;;;;;1-5-6(2,3)4/h1-19H;1-16H;1-11H;1-10H,11H2;2-6H,1H3;1-5H;1-3,10-11H;6*1H4;;1H;1H,(H,2,3,4)/q;;;+1;;;;;;;;;;;;/p-1/b;;11-6+;;;;;;;;;;;;;
InChIKeyFEEPDVAJCKANHX-MJHREYDPSA-M
MW2271.49 g/mol
LogP24.97
Rot. Bonds17

About actinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide

actinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide (PubChem CID 159969193) has the molecular formula C107H102AcBBr4F4N3O11S and a molecular weight of 2271.49 g/mol. Its IUPAC name is actinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide.

Molecular Properties

Compound Nameactinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
PubChem CID159969193
Molecular FormulaC107H102AcBBr4F4N3O11S
Molecular Weight2271.49 g/mol
Exact Mass2266.43
IUPAC Nameactinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
SMILESBrc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.C.C.C.C.C.C.CC(=O)c1ccccc1.Fc1ccc(F)c(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)c1.O=C(/C=C/c1ccccc1)c1ccc(Br)cc1.O=C(C[n+]1ccccc1)c1ccccc1.O=Cc1ccc(Br)cc1.O=S(=O)(O)OO.OB(O)c1cc(F)ccc1F.[Ac].[Br-]
InChIInChI=1S/C29H19F2N.C23H16BrN.C15H11BrO.C13H12NO.C8H8O.C7H5BrO.C6H5BF2O2.6CH4.Ac.BrH.H2O5S/c30-25-15-16-27(31)26(19-25)21-11-13-23(14-12-21)29-18-24(20-7-3-1-4-8-20)17-28(32-29)22-9-5-2-6-10-22;24-21-13-11-19(12-14-21)23-16-20(17-7-3-1-4-8-17)15-22(25-23)18-9-5-2-6-10-18;16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;1-7(9)8-5-3-2-4-6-8;8-7-3-1-6(5-9)2-4-7;8-4-1-2-6(9)5(3-4)7(10)11;;;;;;;;;1-5-6(2,3)4/h1-19H;1-16H;1-11H;1-10H,11H2;2-6H,1H3;1-5H;1-3,10-11H;6*1H4;;1H;1H,(H,2,3,4)/q;;;+1;;;;;;;;;;;;/p-1/b;;11-6+;;;;;;;;;;;;;
InChIKeyFEEPDVAJCKANHX-MJHREYDPSA-M
XLogP24.97
TPSA222.23 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002271.49
LogP ≤ 524.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze actinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide with MolForge

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Related Compounds

4-Bromopyridine-2-carbaldehyde;[4-(trifluoromethyl)phenyl]boronic acid;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 157064138
benzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
CID 157220440
1-(3-bromophenyl)ethanone;2-(3-bromophenyl)-6-phenyl-4-(4-phenylphenyl)pyridine;(E)-1-(3-bromophenyl)-3-(4-phenylphenyl)prop-2-en-1-one;(2,5-difluorophenyl)boronic acid;4-phenylbenzaldehyde;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
CID 157611579
1-(5-Bromo-2-pyridinyl)ethanone;(4-fluorophenyl)boronic acid;1-[5-(4-fluorophenyl)-2-pyridinyl]ethanone;palladium;tetrakis(triphenylphosphane)
CID 157800432
actinium;3-bromobenzaldehyde;4-(3-bromophenyl)-2,6-diphenylpyridine;(E)-3-(3-bromophenyl)-1-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;4-[3-(2,5-difluorophenyl)phenyl]-2,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
CID 158051173
1-(4-bromophenyl)ethanone;(E)-1-(4-bromophenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one;ethanol;4-pyridin-3-ylbenzaldehyde
CID 158679734
(E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
CID 158844692
3-bromobenzaldehyde;4-(3-bromophenyl)-2,6-diphenylpyridine;(E)-3-(3-bromophenyl)-1-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;4-[3-(2,5-difluorophenyl)phenyl]-2,6-diphenylpyridine;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
CID 159438195
benzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;1-(4-bromophenyl)ethanone;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
CID 159528883
actinium;1-(3-bromophenyl)ethanone;2-(3-bromophenyl)-6-phenyl-4-(4-phenylphenyl)pyridine;(E)-1-(3-bromophenyl)-3-(4-phenylphenyl)prop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[3-(2,5-dimethylphenyl)phenyl]-6-phenyl-4-(4-phenylphenyl)pyridine;hydroxy hydrogen sulfate;methane;4-phenylbenzaldehyde;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
CID 160140873
5-Bromopyridine-2-carbaldehyde;(2-fluoro-5-methylphenyl)boronic acid;5-(2-fluoro-5-methylphenyl)pyridine-2-carbaldehyde
CID 160187748
(4-Benzoylphenyl)boronic acid;2-(4-bromophenyl)pyridine;phenyl-[4-(4-pyridin-2-ylphenyl)phenyl]methanone
CID 160547584

Frequently Asked Questions

What is the IUPAC name of actinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
The IUPAC name of actinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide (CID 159969193) is actinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide.
What is the SMILES notation for actinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
The canonical SMILES for actinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide is Brc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.C.C.C.C.C.C.CC(=O)c1ccccc1.Fc1ccc(F)c(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)c1.O=C(/C=C/c1ccccc1)c1ccc(Br)cc1.O=C(C[n+]1ccccc1)c1ccccc1.O=Cc1ccc(Br)cc1.O=S(=O)(O)OO.OB(O)c1cc(F)ccc1F.[Ac].[Br-].
What is the InChIKey of actinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
The InChIKey is FEEPDVAJCKANHX-MJHREYDPSA-M. The full InChI is InChI=1S/C29H19F2N.C23H16BrN.C15H11BrO.C13H12NO.C8H8O.C7H5BrO.C6H5BF2O2.6CH4.Ac.BrH.H2O5S/c30-25-15-16-27(31)26(19-25)21-11-13-23(14-12-21)29-18-24(20-7-3-1-4-8-20)17-28(32-29)22-9-5-2-6-10-22;24-21-13-11-19(12-14-21)23-16-20(17-7-3-1-4-8-17)15-22(25-23)18-9-5-2-6-10-18;16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;1-7(9)8-5-3-2-4-6-8;8-7-3-1-6(5-9)2-4-7;8-4-1-2-6(9)5(3-4)7(10)11;;;;;;;;;1-5-6(2,3)4/h1-19H;1-16H;1-11H;1-10H,11H2;2-6H,1H3;1-5H;1-3,10-11H;6*1H4;;1H;1H,(H,2,3,4)/q;;;+1;;;;;;;;;;;;/p-1/b;;11-6+;;;;;;;;;;;;;.
What are the key properties of actinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
actinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide has a molecular weight of 2271.49 g/mol, XLogP of 24.97, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;4-bromobenzaldehyde;2-(4-bromophenyl)-4,6-diphenylpyridine;(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one;(2,5-difluorophenyl)boronic acid;2-[4-(2,5-difluorophenyl)phenyl]-4,6-diphenylpyridine;hydroxy hydrogen sulfate;methane;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide is sourced from PubChem (CID 159969193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).