2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum

C131H132F6N16O2Pt5-8 — CID 159195556

IUPAC2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum
SMILESCC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.CC(C)(c1cccc(-c2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.[H]/[O+]=C(\C)C=C(C)O.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C36H44N4.C27H32N6.C25H16F4N2.C25H20N2.C13H11F2N2.C5H8O2.5Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-25(2,3)19-15-17-32(30-19)23-13-9-11-21(28-23)27(7,8)22-12-10-14-24(29-22)33-18-16-20(31-33)26(4,5)6;1-25(2,23-7-3-5-21(30-23)17-11-9-15(26)13-19(17)28)24-8-4-6-22(31-24)18-12-10-16(27)14-20(18)29;1-25(2,23-17-9-15-21(26-23)19-11-5-3-6-12-19)24-18-10-16-22(27-24)20-13-7-4-8-14-20;1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-4(6)3-5(2)7;;;;;/h17-20H,9-16H2,1-8H3;9-16H,1-8H3;3-10,13-14H,1-2H3;3-11,13,15-18H,1-2H3;3,5-8H,1-2H3;3,6H,1-2H3;;;;;/q4*-2;-1;;;;;;/p+1/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;
InChIKeyFDJIUGLWXSWFFO-QTKDVONZSA-O
MW3051.98 g/mol
LogP30.58
Rot. Bonds23

About 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum

2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum (PubChem CID 159195556) has the molecular formula C131H132F6N16O2Pt5-8 and a molecular weight of 3051.98 g/mol. Its IUPAC name is 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum.

Molecular Properties

Compound Name2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum
PubChem CID159195556
Molecular FormulaC131H132F6N16O2Pt5-8
Molecular Weight3051.98 g/mol
Exact Mass3049.89
IUPAC Name2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum
SMILESCC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.CC(C)(c1cccc(-c2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.[H]/[O+]=C(\C)C=C(C)O.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C36H44N4.C27H32N6.C25H16F4N2.C25H20N2.C13H11F2N2.C5H8O2.5Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-25(2,3)19-15-17-32(30-19)23-13-9-11-21(28-23)27(7,8)22-12-10-14-24(29-22)33-18-16-20(31-33)26(4,5)6;1-25(2,23-7-3-5-21(30-23)17-11-9-15(26)13-19(17)28)24-8-4-6-22(31-24)18-12-10-16(27)14-20(18)29;1-25(2,23-17-9-15-21(26-23)19-11-5-3-6-12-19)24-18-10-16-22(27-24)20-13-7-4-8-14-20;1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-4(6)3-5(2)7;;;;;/h17-20H,9-16H2,1-8H3;9-16H,1-8H3;3-10,13-14H,1-2H3;3-11,13,15-18H,1-2H3;3,5-8H,1-2H3;3,6H,1-2H3;;;;;/q4*-2;-1;;;;;;/p+1/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;
InChIKeyFDJIUGLWXSWFFO-QTKDVONZSA-O
XLogP30.58
TPSA224.72 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003051.98
LogP ≤ 530.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum?
The IUPAC name of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum (CID 159195556) is 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum.
What is the SMILES notation for 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum?
The canonical SMILES for 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum is CC(C)(C)c1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1cccc(-c2[c-]cc(F)cc2F)n1)c1cccc(-c2[c-]cc(F)cc2F)n1.CC(C)(c1cccc(-c2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.[H]/[O+]=C(\C)C=C(C)O.[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum?
The InChIKey is FDJIUGLWXSWFFO-QTKDVONZSA-O. The full InChI is InChI=1S/C36H44N4.C27H32N6.C25H16F4N2.C25H20N2.C13H11F2N2.C5H8O2.5Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-25(2,3)19-15-17-32(30-19)23-13-9-11-21(28-23)27(7,8)22-12-10-14-24(29-22)33-18-16-20(31-33)26(4,5)6;1-25(2,23-7-3-5-21(30-23)17-11-9-15(26)13-19(17)28)24-8-4-6-22(31-24)18-12-10-16(27)14-20(18)29;1-25(2,23-17-9-15-21(26-23)19-11-5-3-6-12-19)24-18-10-16-22(27-24)20-13-7-4-8-14-20;1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-4(6)3-5(2)7;;;;;/h17-20H,9-16H2,1-8H3;9-16H,1-8H3;3-10,13-14H,1-2H3;3-11,13,15-18H,1-2H3;3,5-8H,1-2H3;3,6H,1-2H3;;;;;/q4*-2;-1;;;;;;/p+1/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;.
What are the key properties of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum?
2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum has a molecular weight of 3051.98 g/mol, XLogP of 30.58, 23 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum is sourced from PubChem (CID 159195556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).