carbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole

C139H91F10N13OPt10-12 — CID 161473533

IUPACcarbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
SMILESFC(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.[CH3-].[CH3-].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2ccccc2)o1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C19H11FN.C15H8F2N.2C15H9FN.C15H10NO.2C15H10N.C10H6F3N2.C9H5F2N2.C9H7N2.2CH3.10Pt/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;1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;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;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;;;;;;;;;;;;/h1-9,11-12H;1-6,8-9H;2*1-5,7-10H;1-9,11H;1-8,10-11H;1-7,9-11H;1-4,6-7H;1-2,4-6H;1-5,7-8H;2*1H3;;;;;;;;;;/q12*-1;;;;;;;;;;
InChIKeyDMJFVXCCCVRQOA-UHFFFAOYSA-N
MW4100.11 g/mol
LogP35.06
Rot. Bonds11

About carbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole

carbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole (PubChem CID 161473533) has the molecular formula C139H91F10N13OPt10-12 and a molecular weight of 4100.11 g/mol. Its IUPAC name is carbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole.

Molecular Properties

Compound Namecarbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
PubChem CID161473533
Molecular FormulaC139H91F10N13OPt10-12
Molecular Weight4100.11 g/mol
Exact Mass4097.39
IUPAC Namecarbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
SMILESFC(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.[CH3-].[CH3-].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2ccccc2)o1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C19H11FN.C15H8F2N.2C15H9FN.C15H10NO.2C15H10N.C10H6F3N2.C9H5F2N2.C9H7N2.2CH3.10Pt/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;1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;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;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;;;;;;;;;;;;/h1-9,11-12H;1-6,8-9H;2*1-5,7-10H;1-9,11H;1-8,10-11H;1-7,9-11H;1-4,6-7H;1-2,4-6H;1-5,7-8H;2*1H3;;;;;;;;;;/q12*-1;;;;;;;;;;
InChIKeyDMJFVXCCCVRQOA-UHFFFAOYSA-N
XLogP35.06
TPSA156.83 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms173
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004100.11
LogP ≤ 535.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze carbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
The IUPAC name of carbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole (CID 161473533) is carbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole.
What is the SMILES notation for carbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
The canonical SMILES for carbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole is 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.[CH3-].[CH3-].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1ncc(-c2ccccc2)o1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-n1cccn1.
What is the InChIKey of carbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
The InChIKey is DMJFVXCCCVRQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN.C15H8F2N.2C15H9FN.C15H10NO.2C15H10N.C10H6F3N2.C9H5F2N2.C9H7N2.2CH3.10Pt/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;1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;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;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;;;;;;;;;;;;/h1-9,11-12H;1-6,8-9H;2*1-5,7-10H;1-9,11H;1-8,10-11H;1-7,9-11H;1-4,6-7H;1-2,4-6H;1-5,7-8H;2*1H3;;;;;;;;;;/q12*-1;;;;;;;;;;.
What are the key properties of carbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole?
carbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole has a molecular weight of 4100.11 g/mol, XLogP of 35.06, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;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;5-phenyl-2-phenyl-1,3-oxazole;1-phenylpyrazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole is sourced from PubChem (CID 161473533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).