bis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate

C68H50Cl3N10O16Tb — CID 139154717

IUPACbis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate
SMILESCC#N.CC#N.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][n+]1ccccc1-c1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)cc(-c3cccc[n+]3[O-])n2)n1.[O-][n+]1ccccc1-c1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)cc(-c3cccc[n+]3[O-])n2)n1.[Tb+3]
InChIInChI=1S/2C32H22N4O2.2C2H3N.3ClHO4.Tb/c2*37-35-17-9-7-15-31(35)29-21-25(23-11-3-1-4-12-23)19-27(33-29)28-20-26(24-13-5-2-6-14-24)22-30(34-28)32-16-8-10-18-36(32)38;2*1-2-3;3*2-1(3,4)5;/h2*1-22H;2*1H3;3*(H,2,3,4,5);/q;;;;;;;+3/p-3
InChIKeyJEKGXCJRKMMQBH-UHFFFAOYSA-K
MW1528.49 g/mol
LogP-1.05
Rot. Bonds10

About bis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate

bis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate (PubChem CID 139154717) has the molecular formula C68H50Cl3N10O16Tb and a molecular weight of 1528.49 g/mol. Its IUPAC name is bis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate.

Molecular Properties

Compound Namebis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate
PubChem CID139154717
Molecular FormulaC68H50Cl3N10O16Tb
Molecular Weight1528.49 g/mol
Exact Mass1526.17
IUPAC Namebis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate
SMILESCC#N.CC#N.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][n+]1ccccc1-c1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)cc(-c3cccc[n+]3[O-])n2)n1.[O-][n+]1ccccc1-c1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)cc(-c3cccc[n+]3[O-])n2)n1.[Tb+3]
InChIInChI=1S/2C32H22N4O2.2C2H3N.3ClHO4.Tb/c2*37-35-17-9-7-15-31(35)29-21-25(23-11-3-1-4-12-23)19-27(33-29)28-20-26(24-13-5-2-6-14-24)22-30(34-28)32-16-8-10-18-36(32)38;2*1-2-3;3*2-1(3,4)5;/h2*1-22H;2*1H3;3*(H,2,3,4,5);/q;;;;;;;+3/p-3
InChIKeyJEKGXCJRKMMQBH-UHFFFAOYSA-K
XLogP-1.05
TPSA483.62 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001528.49
LogP ≤ 5-1.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze bis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate with MolForge

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Related Compounds

4-(3-nitrophenyl)-2,6-bis(1-oxidopyridin-1-ium-2-yl)pyridine
CID 54458000
1-methyl-3,5-diphenylpyrazin-1-ium perchlorate
CID 12065475
bis(acetonitrile);1,1'-biphenyl
CID 175366291
1-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)ethyl]-2,6-dimethyl-4-phenylpyridin-1-ium perchlorate
CID 54607926
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
2-methyl-6-[6-(6-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-1-oxido-4-phenylpyridin-1-ium
CID 177405735
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2-(4-methylphenyl)-1-oxidopyridin-1-ium
CID 3799488
4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
CID 132529641

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate?
The IUPAC name of bis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate (CID 139154717) is bis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate.
What is the SMILES notation for bis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate?
The canonical SMILES for bis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate is CC#N.CC#N.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][n+]1ccccc1-c1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)cc(-c3cccc[n+]3[O-])n2)n1.[O-][n+]1ccccc1-c1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)cc(-c3cccc[n+]3[O-])n2)n1.[Tb+3].
What is the InChIKey of bis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate?
The InChIKey is JEKGXCJRKMMQBH-UHFFFAOYSA-K. The full InChI is InChI=1S/2C32H22N4O2.2C2H3N.3ClHO4.Tb/c2*37-35-17-9-7-15-31(35)29-21-25(23-11-3-1-4-12-23)19-27(33-29)28-20-26(24-13-5-2-6-14-24)22-30(34-28)32-16-8-10-18-36(32)38;2*1-2-3;3*2-1(3,4)5;/h2*1-22H;2*1H3;3*(H,2,3,4,5);/q;;;;;;;+3/p-3.
What are the key properties of bis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate?
bis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate has a molecular weight of 1528.49 g/mol, XLogP of -1.05, 10 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(2-(1-oxidopyridin-1-ium-2-yl)-6-[6-(1-oxidopyridin-1-ium-2-yl)-4-phenyl-2-pyridinyl]-4-phenylpyridine);terbium(3+);triperchlorate is sourced from PubChem (CID 139154717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).