2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+))

C130H94F12N12OPt5S — CID 159361531

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+))
SMILESCC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(N2[C-]=CC=Cc3ccccc32)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cn(-c2ccccc2)c(-c2[c-]cccc2)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1coc(-c2[c-]cc(F)cc2F)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1csc(-c2[c-]cccc2)n1.CC1(C)C=C(C(C)(C)c2cccc(-c3[c-]cc(F)cc3F)n2)N=C1c1[c-]cccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C29H21F2N3.C26H22F2N2.C23H14F4N2O.C23H16F2N2S.5Pt/c1-29(2,26-15-9-14-25(32-26)23-17-16-21(30)18-24(23)31)27-19-34(22-12-7-4-8-13-22)28(33-27)20-10-5-3-6-11-20;1-29(2,26-13-7-11-24(32-26)22-17-16-21(30)19-23(22)31)27-14-8-15-28(33-27)34-18-6-5-10-20-9-3-4-12-25(20)34;1-25(2)16-23(30-24(25)17-9-6-5-7-10-17)26(3,4)22-12-8-11-21(29-22)19-14-13-18(27)15-20(19)28;1-23(2,21-12-30-22(29-21)16-9-7-14(25)11-18(16)27)20-5-3-4-19(28-20)15-8-6-13(24)10-17(15)26;1-23(2,21-14-28-22(27-21)15-7-4-3-5-8-15)20-10-6-9-19(26-20)17-12-11-16(24)13-18(17)25;;;;;/h3-10,12-16,18-19H,1-2H3;3-16,19H,1-2H3;5-9,11-13,15-16H,1-4H3;3-7,10-12H,1-2H3;3-7,9-11,13-14H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyVBNAPOHCUVQNCW-UHFFFAOYSA-N
MW3075.70 g/mol
LogP32.10
Rot. Bonds21

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+))

2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+)) (PubChem CID 159361531) has the molecular formula C130H94F12N12OPt5S and a molecular weight of 3075.70 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+)).

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+))
PubChem CID159361531
Molecular FormulaC130H94F12N12OPt5S
Molecular Weight3075.70 g/mol
Exact Mass3073.54
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+))
SMILESCC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(N2[C-]=CC=Cc3ccccc32)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cn(-c2ccccc2)c(-c2[c-]cccc2)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1coc(-c2[c-]cc(F)cc2F)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1csc(-c2[c-]cccc2)n1.CC1(C)C=C(C(C)(C)c2cccc(-c3[c-]cc(F)cc3F)n2)N=C1c1[c-]cccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C29H21F2N3.C26H22F2N2.C23H14F4N2O.C23H16F2N2S.5Pt/c1-29(2,26-15-9-14-25(32-26)23-17-16-21(30)18-24(23)31)27-19-34(22-12-7-4-8-13-22)28(33-27)20-10-5-3-6-11-20;1-29(2,26-13-7-11-24(32-26)22-17-16-21(30)19-23(22)31)27-14-8-15-28(33-27)34-18-6-5-10-20-9-3-4-12-25(20)34;1-25(2)16-23(30-24(25)17-9-6-5-7-10-17)26(3,4)22-12-8-11-21(29-22)19-14-13-18(27)15-20(19)28;1-23(2,21-12-30-22(29-21)16-9-7-14(25)11-18(16)27)20-5-3-4-19(28-20)15-8-6-13(24)10-17(15)26;1-23(2,21-14-28-22(27-21)15-7-4-3-5-8-15)20-10-6-9-19(26-20)17-12-11-16(24)13-18(17)25;;;;;/h3-10,12-16,18-19H,1-2H3;3-16,19H,1-2H3;5-9,11-13,15-16H,1-4H3;3-7,10-12H,1-2H3;3-7,9-11,13-14H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyVBNAPOHCUVQNCW-UHFFFAOYSA-N
XLogP32.10
TPSA149.68 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms161
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003075.70
LogP ≤ 532.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+))?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+)) (CID 159361531) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+)).
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+))?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+)) is CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(N2[C-]=CC=Cc3ccccc32)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cn(-c2ccccc2)c(-c2[c-]cccc2)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1coc(-c2[c-]cc(F)cc2F)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1csc(-c2[c-]cccc2)n1.CC1(C)C=C(C(C)(C)c2cccc(-c3[c-]cc(F)cc3F)n2)N=C1c1[c-]cccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+))?
The InChIKey is VBNAPOHCUVQNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H21F2N3.C26H22F2N2.C23H14F4N2O.C23H16F2N2S.5Pt/c1-29(2,26-15-9-14-25(32-26)23-17-16-21(30)18-24(23)31)27-19-34(22-12-7-4-8-13-22)28(33-27)20-10-5-3-6-11-20;1-29(2,26-13-7-11-24(32-26)22-17-16-21(30)19-23(22)31)27-14-8-15-28(33-27)34-18-6-5-10-20-9-3-4-12-25(20)34;1-25(2)16-23(30-24(25)17-9-6-5-7-10-17)26(3,4)22-12-8-11-21(29-22)19-14-13-18(27)15-20(19)28;1-23(2,21-12-30-22(29-21)16-9-7-14(25)11-18(16)27)20-5-3-4-19(28-20)15-8-6-13(24)10-17(15)26;1-23(2,21-14-28-22(27-21)15-7-4-3-5-8-15)20-10-6-9-19(26-20)17-12-11-16(24)13-18(17)25;;;;;/h3-10,12-16,18-19H,1-2H3;3-16,19H,1-2H3;5-9,11-13,15-16H,1-4H3;3-7,10-12H,1-2H3;3-7,9-11,13-14H,1-2H3;;;;;/q5*-2;5*+2.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+))?
2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+)) has a molecular weight of 3075.70 g/mol, XLogP of 32.10, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-1,3-oxazole;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(4,4-dimethyl-5-phenylpyrrol-2-yl)propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-(1-phenyl-2-phenylimidazol-4-yl)propan-2-yl]pyridine;4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-phenyl-1,3-thiazole;1-[6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-1-benzazepin-2-ide;pentakis(platinum(2+)) is sourced from PubChem (CID 159361531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).