About CID 158037145
CID 158037145 (PubChem CID 158037145) has the molecular formula C141H97F7N16O4Pt5
and a molecular weight of 3187.81 g/mol.
Molecular Properties
| Compound Name | CID 158037145 |
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| PubChem CID | 158037145 |
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| Molecular Formula | C141H97F7N16O4Pt5 |
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| Molecular Weight | 3187.81 g/mol |
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| Exact Mass | 3185.60 |
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| IUPAC Name | — |
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| SMILES | CC1(C)c2[c-]c(ccc2)-c2[c-]c(c(F)c(C(F)(F)F)c2F)-c2cccc(n2)C(C)(C)c2cccc1n2.COC(=O)c1cc2[c-]c(c1)-c1cccc(n1)C(=O)c1cccc(n1)C(=O)c1[c-]c-2cc(C#N)c1.Cc1[c-]c(-c2[c-]c(-c3cccc(C(C)(C)c4ccccn4)n3)cc(C#N)c2)cc(C#N)c1.Cc1cc(-c2[c-]c3ccccc3n2C)[c-]c(-c2nc3c(C(C)(C)c4ccccn4)cccc3n2C)c1.N#Cc1c(F)c(-c2[c-]cccc2)[c-]c(-c2cccc(CCc3ccccn3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
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| InChI | InChI=1S/C32H28N4.C29H21F5N2.C28H20N4.C27H13N3O4.C25H15F2N3.5Pt/c1-21-17-23(28-20-22-11-6-7-13-26(22)35(28)4)19-24(18-21)31-34-30-25(12-10-14-27(30)36(31)5)32(2,3)29-15-8-9-16-33-29;1-27(2)17-9-5-8-16(14-17)18-15-19(26(31)24(25(18)30)29(32,33)34)20-10-6-11-22(35-20)28(3,4)23-13-7-12-21(27)36-23;1-19-11-20(17-29)13-22(12-19)23-14-21(18-30)15-24(16-23)25-7-6-9-27(32-25)28(2,3)26-8-4-5-10-31-26;1-34-27(33)20-12-17-10-18(13-20)21-4-2-6-23(29-21)26(32)24-7-3-5-22(30-24)25(31)19-9-15(14-28)8-16(17)11-19;26-24-20(17-7-2-1-3-8-17)15-21(25(27)22(24)16-28)23-11-6-10-19(30-23)13-12-18-9-4-5-14-29-18;;;;;/h6-18H,1-5H3;5-13H,1-4H3;4-11,13-15H,1-3H3;2-9,12-13H,1H3;1-7,9-11,14H,12-13H2;;;;;/q5*-2;5*+2 |
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| InChIKey | VILCGNRYYFVWJW-UHFFFAOYSA-N |
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| XLogP | 29.67 |
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| TPSA | 294.36 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 20 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 173 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 3187.81 |
| LogP ≤ 5 | 29.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 158037145?
The IUPAC name of CID 158037145 (CID 158037145) is not available.
What is the SMILES notation for CID 158037145?
The canonical SMILES for CID 158037145 is CC1(C)c2[c-]c(ccc2)-c2[c-]c(c(F)c(C(F)(F)F)c2F)-c2cccc(n2)C(C)(C)c2cccc1n2.COC(=O)c1cc2[c-]c(c1)-c1cccc(n1)C(=O)c1cccc(n1)C(=O)c1[c-]c-2cc(C#N)c1.Cc1[c-]c(-c2[c-]c(-c3cccc(C(C)(C)c4ccccn4)n3)cc(C#N)c2)cc(C#N)c1.Cc1cc(-c2[c-]c3ccccc3n2C)[c-]c(-c2nc3c(C(C)(C)c4ccccn4)cccc3n2C)c1.N#Cc1c(F)c(-c2[c-]cccc2)[c-]c(-c2cccc(CCc3ccccn3)n2)c1F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 158037145?
The InChIKey is VILCGNRYYFVWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4.C29H21F5N2.C28H20N4.C27H13N3O4.C25H15F2N3.5Pt/c1-21-17-23(28-20-22-11-6-7-13-26(22)35(28)4)19-24(18-21)31-34-30-25(12-10-14-27(30)36(31)5)32(2,3)29-15-8-9-16-33-29;1-27(2)17-9-5-8-16(14-17)18-15-19(26(31)24(25(18)30)29(32,33)34)20-10-6-11-22(35-20)28(3,4)23-13-7-12-21(27)36-23;1-19-11-20(17-29)13-22(12-19)23-14-21(18-30)15-24(16-23)25-7-6-9-27(32-25)28(2,3)26-8-4-5-10-31-26;1-34-27(33)20-12-17-10-18(13-20)21-4-2-6-23(29-21)26(32)24-7-3-5-22(30-24)25(31)19-9-15(14-28)8-16(17)11-19;26-24-20(17-7-2-1-3-8-17)15-21(25(27)22(24)16-28)23-11-6-10-19(30-23)13-12-18-9-4-5-14-29-18;;;;;/h6-18H,1-5H3;5-13H,1-4H3;4-11,13-15H,1-3H3;2-9,12-13H,1H3;1-7,9-11,14H,12-13H2;;;;;/q5*-2;5*+2.
What are the key properties of CID 158037145?
CID 158037145 has a molecular weight of 3187.81 g/mol, XLogP of 29.67, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158037145 is sourced from PubChem (CID 158037145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).