1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole

C139H88F13N13Pt10-10 — CID 158252140

IUPAC1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
SMILESCC(F)(F)F.FC(F)(F)c1c[c-]c(-n2cccn2)cc1.Fc1c[c-]c(-c2ccc3ccccc3n2)c(F)c1.Fc1c[c-]c(-c2nc3ccccc3c3ccccc23)cc1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1ccc[c-]c1-c1ccc2ccccc2n1.Fc1cccc2c(-c3[c-]cccc3)nccc12.[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C19H11FN.C15H8F2N.2C15H9FN.3C15H10N.C10H6F3N2.C9H5F2N2.C9H7N2.C2H3F3.10Pt/c20-14-11-9-13(10-12-14)19-17-7-2-1-5-15(17)16-6-3-4-8-18(16)21-19;16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15;16-13-7-3-2-6-12(13)15-10-9-11-5-1-4-8-14(11)17-15;16-14-8-4-7-13-12(14)9-10-17-15(13)11-5-2-1-3-6-11;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15;10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;1-2-5-9(6-3-1)11-8-4-7-10-11;1-2(3,4)5;;;;;;;;;;/h1-9,11-12H;1-6,8-9H;2*1-5,7-10H;1-8,10-11H;1-7,9-11H;1-6,8-11H;1-4,6-7H;1-2,4-6H;1-5,7-8H;1H3;;;;;;;;;;/q10*-1;;;;;;;;;;;
InChIKeyITDCVZPFTCVPRY-UHFFFAOYSA-N
MW4138.08 g/mol
LogP35.62
Rot. Bonds10

About 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole

1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole (PubChem CID 158252140) has the molecular formula C139H88F13N13Pt10-10 and a molecular weight of 4138.08 g/mol. Its IUPAC name is 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole.

Molecular Properties

Compound Name1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
PubChem CID158252140
Molecular FormulaC139H88F13N13Pt10-10
Molecular Weight4138.08 g/mol
Exact Mass4135.36
IUPAC Name1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
SMILESCC(F)(F)F.FC(F)(F)c1c[c-]c(-n2cccn2)cc1.Fc1c[c-]c(-c2ccc3ccccc3n2)c(F)c1.Fc1c[c-]c(-c2nc3ccccc3c3ccccc23)cc1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1ccc[c-]c1-c1ccc2ccccc2n1.Fc1cccc2c(-c3[c-]cccc3)nccc12.[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C19H11FN.C15H8F2N.2C15H9FN.3C15H10N.C10H6F3N2.C9H5F2N2.C9H7N2.C2H3F3.10Pt/c20-14-11-9-13(10-12-14)19-17-7-2-1-5-15(17)16-6-3-4-8-18(16)21-19;16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15;16-13-7-3-2-6-12(13)15-10-9-11-5-1-4-8-14(11)17-15;16-14-8-4-7-13-12(14)9-10-17-15(13)11-5-2-1-3-6-11;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15;10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;1-2-5-9(6-3-1)11-8-4-7-10-11;1-2(3,4)5;;;;;;;;;;/h1-9,11-12H;1-6,8-9H;2*1-5,7-10H;1-8,10-11H;1-7,9-11H;1-6,8-11H;1-4,6-7H;1-2,4-6H;1-5,7-8H;1H3;;;;;;;;;;/q10*-1;;;;;;;;;;;
InChIKeyITDCVZPFTCVPRY-UHFFFAOYSA-N
XLogP35.62
TPSA143.69 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004138.08
LogP ≤ 535.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole with MolForge

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Related Compounds

[2-[2-Azanidyl-4,6-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)phenyl]azanide;benzene;bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide)
CID 139144029
4-[2,6-Di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
CID 139165520
Gross107 (Sudhakar)
CID 139174614
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
CID 58510484
CID 58510484
2-[2-Methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510488
Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(2-phenylpyrazine)
CID 59010556
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)
CID 59010559
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
CID 59012306
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729592
7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-4-[(2S,4S)-4-fluoro-2-[[4-[2-[4-[(2S,4R)-4-fluoro-2-[[4-(6-methyl-2-quinolin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]cyclopentyl]quinolin-7-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]quinoline
CID 137388803
9-[2,6-Bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]pyridin-3-yl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]pyridin-3-yl]phenyl]pyridin-4-yl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole
CID 139313534

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
The IUPAC name of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole (CID 158252140) is 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole.
What is the SMILES notation for 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
The canonical SMILES for 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole is CC(F)(F)F.FC(F)(F)c1c[c-]c(-n2cccn2)cc1.Fc1c[c-]c(-c2ccc3ccccc3n2)c(F)c1.Fc1c[c-]c(-c2nc3ccccc3c3ccccc23)cc1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1ccc[c-]c1-c1ccc2ccccc2n1.Fc1cccc2c(-c3[c-]cccc3)nccc12.[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-n1cccn1.
What is the InChIKey of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
The InChIKey is ITDCVZPFTCVPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN.C15H8F2N.2C15H9FN.3C15H10N.C10H6F3N2.C9H5F2N2.C9H7N2.C2H3F3.10Pt/c20-14-11-9-13(10-12-14)19-17-7-2-1-5-15(17)16-6-3-4-8-18(16)21-19;16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15;16-13-7-3-2-6-12(13)15-10-9-11-5-1-4-8-14(11)17-15;16-14-8-4-7-13-12(14)9-10-17-15(13)11-5-2-1-3-6-11;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15;10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;1-2-5-9(6-3-1)11-8-4-7-10-11;1-2(3,4)5;;;;;;;;;;/h1-9,11-12H;1-6,8-9H;2*1-5,7-10H;1-8,10-11H;1-7,9-11H;1-6,8-11H;1-4,6-7H;1-2,4-6H;1-5,7-8H;1H3;;;;;;;;;;/q10*-1;;;;;;;;;;;.
What are the key properties of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole has a molecular weight of 4138.08 g/mol, XLogP of 35.62, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;1-phenylpyrazole;2-phenylquinoline;platinum;1,1,1-trifluoroethane;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole is sourced from PubChem (CID 158252140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).