About CID 157303773
CID 157303773 (PubChem CID 157303773) has the molecular formula C112H87F9N11O2Pt4-
and a molecular weight of 2570.30 g/mol.
Molecular Properties
| Compound Name | CID 157303773 |
|---|
| PubChem CID | 157303773 |
|---|
| Molecular Formula | C112H87F9N11O2Pt4- |
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| Molecular Weight | 2570.30 g/mol |
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| Exact Mass | 2568.55 |
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| IUPAC Name | — |
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| SMILES | CC(C)(C)c1c(F)c(-n2cccn2)[c-]c(-n2ccc(C(C)(C)c3[c-]cccc3)n2)c1F.CC(C)(C)c1c(F)c2[c-]c(c1F)-c1cccc(n1)C(C)(C)c1[c-]c(ccc1)C(C)(C)c1cccc-2n1.CC(C)(c1ccc(-c2ccccc2)cc1)c1cccc(-c2[c-]c(-c3ccccn3)cnc2)n1.O=C1c2[c-]c(ccc2)C(=O)c2cccc(n2)-c2[c-]c(c(F)c(C(F)(F)F)c2F)-c2cccc1n2.[Pt+2].[Pt+2].[Pt+2].[Pt] |
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| InChI | InChI=1S/C32H30F2N2.C30H24N3.C25H9F5N2O2.C25H24F2N4.4Pt/c1-30(2,3)27-28(33)21-18-22(29(27)34)24-14-10-16-26(36-24)32(6,7)20-12-8-11-19(17-20)31(4,5)25-15-9-13-23(21)35-25;1-30(2,26-16-14-23(15-17-26)22-9-4-3-5-10-22)29-13-8-12-28(33-29)25-19-24(20-31-21-25)27-11-6-7-18-32-27;26-21-14-11-15(22(27)20(21)25(28,29)30)17-7-3-9-19(32-17)24(34)13-5-1-4-12(10-13)23(33)18-8-2-6-16(14)31-18;1-24(2,3)21-22(26)18(30-14-9-13-28-30)16-19(23(21)27)31-15-12-20(29-31)25(4,5)17-10-7-6-8-11-17;;;;/h8-16H,1-7H3;3-18,20-21H,1-2H3;1-9H;6-10,12-15H,1-5H3;;;;/q-2;-1;2*-2;;3*+2 |
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| InChIKey | FTZJLDSFVNJJMN-UHFFFAOYSA-N |
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| XLogP | 25.98 |
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| TPSA | 160.01 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 13 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 138 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 2570.30 |
| LogP ≤ 5 | 25.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
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 157303773?
The IUPAC name of CID 157303773 (CID 157303773) is not available.
What is the SMILES notation for CID 157303773?
The canonical SMILES for CID 157303773 is CC(C)(C)c1c(F)c(-n2cccn2)[c-]c(-n2ccc(C(C)(C)c3[c-]cccc3)n2)c1F.CC(C)(C)c1c(F)c2[c-]c(c1F)-c1cccc(n1)C(C)(C)c1[c-]c(ccc1)C(C)(C)c1cccc-2n1.CC(C)(c1ccc(-c2ccccc2)cc1)c1cccc(-c2[c-]c(-c3ccccn3)cnc2)n1.O=C1c2[c-]c(ccc2)C(=O)c2cccc(n2)-c2[c-]c(c(F)c(C(F)(F)F)c2F)-c2cccc1n2.[Pt+2].[Pt+2].[Pt+2].[Pt].
What is the InChIKey of CID 157303773?
The InChIKey is FTZJLDSFVNJJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N2.C30H24N3.C25H9F5N2O2.C25H24F2N4.4Pt/c1-30(2,3)27-28(33)21-18-22(29(27)34)24-14-10-16-26(36-24)32(6,7)20-12-8-11-19(17-20)31(4,5)25-15-9-13-23(21)35-25;1-30(2,26-16-14-23(15-17-26)22-9-4-3-5-10-22)29-13-8-12-28(33-29)25-19-24(20-31-21-25)27-11-6-7-18-32-27;26-21-14-11-15(22(27)20(21)25(28,29)30)17-7-3-9-19(32-17)24(34)13-5-1-4-12(10-13)23(33)18-8-2-6-16(14)31-18;1-24(2,3)21-22(26)18(30-14-9-13-28-30)16-19(23(21)27)31-15-12-20(29-31)25(4,5)17-10-7-6-8-11-17;;;;/h8-16H,1-7H3;3-18,20-21H,1-2H3;1-9H;6-10,12-15H,1-5H3;;;;/q-2;-1;2*-2;;3*+2.
What are the key properties of CID 157303773?
CID 157303773 has a molecular weight of 2570.30 g/mol, XLogP of 25.98, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157303773 is sourced from PubChem (CID 157303773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).