2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+))
C137H114F4N16O2Pt5 — CID 157327827
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+))
SMILESCC(C)(c1cccc(-c2ccccc2O)n1)c1cccc(-c2ccccc2O)n1.CCc1c(C=C2N=C(C)C(C)=C2C)[n-]c(C=c2[n-]c(=Cc3ccccn3)c(CC)c2CC)c1CC.Cc1c(-c2cccc(Cc3cccc(-c4[n-]c5ccccc5c4C)n3)n2)[n-]c2ccccc12.Cn1c(-c2cccc(Cc3cccc(-c4[c-]c5ccccc5n4C)n3)n2)[c-]c2ccccc21.Fc1c[c-]c(-c2cccc(Cc3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C31H36N4.2C29H22N4.C25H22N2O2.C23H12F4N2.5Pt/c1-8-23-24(9-2)30(34-28(23)16-22-14-12-13-15-32-22)18-31-26(11-4)25(10-3)29(35-31)17-27-20(6)19(5)21(7)33-27;1-18-22-11-3-5-13-24(22)32-28(18)26-15-7-9-20(30-26)17-21-10-8-16-27(31-21)29-19(2)23-12-4-6-14-25(23)33-29;1-32-26-15-5-3-9-20(26)17-28(32)24-13-7-11-22(30-24)19-23-12-8-14-25(31-23)29-18-21-10-4-6-16-27(21)33(29)2;1-25(2,23-15-7-11-19(26-23)17-9-3-5-13-21(17)28)24-16-8-12-20(27-24)18-10-4-6-14-22(18)29;24-14-7-9-18(20(26)11-14)22-5-1-3-16(28-22)13-17-4-2-6-23(29-17)19-10-8-15(25)12-21(19)27;;;;;/h12-18H,8-11H2,1-7H3;3-16H,17H2,1-2H3;3-16H,19H2,1-2H3;3-16,28-29H,1-2H3;1-8,11-12H,13H2;;;;;/q3*-2;;-2;;4*+2
InChIKeyHVZQCDXBKHBWBX-UHFFFAOYSA-N
MW3067.91 g/mol
LogP28.37
Rot. Bonds23
About 2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+))
2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+)) (PubChem CID 157327827) has the molecular formula C137H114F4N16O2Pt5 and a molecular weight of 3067.91 g/mol. Its IUPAC name is 2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+)).
Molecular Properties
| Compound Name | 2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+)) |
|---|---|
| PubChem CID | 157327827 |
| Molecular Formula | C137H114F4N16O2Pt5 |
| Molecular Weight | 3067.91 g/mol |
| Exact Mass | 3065.75 |
| IUPAC Name | 2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+)) |
| SMILES | CC(C)(c1cccc(-c2ccccc2O)n1)c1cccc(-c2ccccc2O)n1.CCc1c(C=C2N=C(C)C(C)=C2C)[n-]c(C=c2[n-]c(=Cc3ccccn3)c(CC)c2CC)c1CC.Cc1c(-c2cccc(Cc3cccc(-c4[n-]c5ccccc5c4C)n3)n2)[n-]c2ccccc12.Cn1c(-c2cccc(Cc3cccc(-c4[c-]c5ccccc5n4C)n3)n2)[c-]c2ccccc21.Fc1c[c-]c(-c2cccc(Cc3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt] |
| InChI | InChI=1S/C31H36N4.2C29H22N4.C25H22N2O2.C23H12F4N2.5Pt/c1-8-23-24(9-2)30(34-28(23)16-22-14-12-13-15-32-22)18-31-26(11-4)25(10-3)29(35-31)17-27-20(6)19(5)21(7)33-27;1-18-22-11-3-5-13-24(22)32-28(18)26-15-7-9-20(30-26)17-21-10-8-16-27(31-21)29-19(2)23-12-4-6-14-25(23)33-29;1-32-26-15-5-3-9-20(26)17-28(32)24-13-7-11-22(30-24)19-23-12-8-14-25(31-23)29-18-21-10-4-6-16-27(21)33(29)2;1-25(2,23-15-7-11-19(26-23)17-9-3-5-13-21(17)28)24-16-8-12-20(27-24)18-10-4-6-14-22(18)29;24-14-7-9-18(20(26)11-14)22-5-1-3-16(28-22)13-17-4-2-6-23(29-17)19-10-8-15(25)12-21(19)27;;;;;/h12-18H,8-11H2,1-7H3;3-16H,17H2,1-2H3;3-16H,19H2,1-2H3;3-16,28-29H,1-2H3;1-8,11-12H,13H2;;;;;/q3*-2;;-2;;4*+2 |
| InChIKey | HVZQCDXBKHBWBX-UHFFFAOYSA-N |
| XLogP | 28.37 |
| TPSA | 235.09 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 164 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3067.91 |
| LogP ≤ 5 | 28.37 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 14 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+))?
The IUPAC name of 2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+)) (CID 157327827) is 2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+)).
What is the SMILES notation for 2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+))?
The canonical SMILES for 2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+)) is CC(C)(c1cccc(-c2ccccc2O)n1)c1cccc(-c2ccccc2O)n1.CCc1c(C=C2N=C(C)C(C)=C2C)[n-]c(C=c2[n-]c(=Cc3ccccn3)c(CC)c2CC)c1CC.Cc1c(-c2cccc(Cc3cccc(-c4[n-]c5ccccc5c4C)n3)n2)[n-]c2ccccc12.Cn1c(-c2cccc(Cc3cccc(-c4[c-]c5ccccc5n4C)n3)n2)[c-]c2ccccc21.Fc1c[c-]c(-c2cccc(Cc3cccc(-c4[c-]cc(F)cc4F)n3)n2)c(F)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].
What is the InChIKey of 2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+))?
The InChIKey is HVZQCDXBKHBWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4.2C29H22N4.C25H22N2O2.C23H12F4N2.5Pt/c1-8-23-24(9-2)30(34-28(23)16-22-14-12-13-15-32-22)18-31-26(11-4)25(10-3)29(35-31)17-27-20(6)19(5)21(7)33-27;1-18-22-11-3-5-13-24(22)32-28(18)26-15-7-9-20(30-26)17-21-10-8-16-27(31-21)29-19(2)23-12-4-6-14-25(23)33-29;1-32-26-15-5-3-9-20(26)17-28(32)24-13-7-11-22(30-24)19-23-12-8-14-25(31-23)29-18-21-10-4-6-16-27(21)33(29)2;1-25(2,23-15-7-11-19(26-23)17-9-3-5-13-21(17)28)24-16-8-12-20(27-24)18-10-4-6-14-22(18)29;24-14-7-9-18(20(26)11-14)22-5-1-3-16(28-22)13-17-4-2-6-23(29-17)19-10-8-15(25)12-21(19)27;;;;;/h12-18H,8-11H2,1-7H3;3-16H,17H2,1-2H3;3-16H,19H2,1-2H3;3-16,28-29H,1-2H3;1-8,11-12H,13H2;;;;;/q3*-2;;-2;;4*+2.
What are the key properties of 2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+))?
2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+)) has a molecular weight of 3067.91 g/mol, XLogP of 28.37, 23 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-3,4-diethylpyrrol-1-id-2-ylidene]methyl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]pyridine;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;1-methyl-2-[6-[[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]-3H-indol-3-ide;3-methyl-2-[6-[[6-(3-methylindol-1-id-2-yl)-2-pyridinyl]methyl]-2-pyridinyl]indol-1-ide;platinum;tetrakis(platinum(2+)) is sourced from PubChem (CID 157327827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157327827 — identifiers, structure, computed properties (public domain)
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