About CID 159884772
CID 159884772 (PubChem CID 159884772) has the molecular formula C126H122N18O4Pt4
and a molecular weight of 2732.80 g/mol.
Molecular Properties
| Compound Name | CID 159884772 |
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| PubChem CID | 159884772 |
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| Molecular Formula | C126H122N18O4Pt4 |
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| Molecular Weight | 2732.80 g/mol |
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| Exact Mass | 2730.85 |
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| IUPAC Name | — |
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| SMILES | CC1(C)c2[c-]c(ccc2)C(C)(C)n2ccc(n2)C(C)(C)c2ccn(n2)C(C)(C)c2[c-]c1ccc2.CC1(C)c2[c-]c(ccc2)C(C)(C)n2cnc(n2)C(C)(C)c2ncn(n2)C(C)(C)c2[c-]c1ccc2.CC1(C)c2cccc(c2O)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2cn(-c3ccccc3)c(n2)-c2cccc1c2O.Cn1cc2nc1-c1cccc(c1O)-c1ccccc1-c1cccc(c1O)-c1nc(cn1C)-c1ccccc1-2.[Pt+2].[Pt+2].[Pt].[Pt] |
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| InChI | InChI=1S/C36H32N4O2.C32H24N4O2.C30H34N4.C28H32N6.4Pt/c1-35(2)27-19-11-17-25(31(27)41)29-21-40(24-15-9-6-10-16-24)34(37-29)36(3,4)30-22-39(23-13-7-5-8-14-23)33(38-30)26-18-12-20-28(35)32(26)42;1-35-17-27-21-11-5-6-12-22(21)28-18-36(2)32(34-28)26-16-8-14-24(30(26)38)20-10-4-3-9-19(20)23-13-7-15-25(29(23)37)31(35)33-27;1-27(2)21-11-9-13-23(19-21)29(5,6)33-17-15-25(31-33)28(3,4)26-16-18-34(32-26)30(7,8)24-14-10-12-22(27)20-24;1-25(2)19-11-9-13-21(15-19)27(5,6)33-17-29-23(31-33)26(3,4)24-30-18-34(32-24)28(7,8)22-14-10-12-20(25)16-22;;;;/h5-22,41-42H,1-4H3;3-18,37-38H,1-2H3;9-18H,1-8H3;9-14,17-18H,1-8H3;;;;/q;;2*-2;;;2*+2 |
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| InChIKey | VOCQXTGDUBESGU-UHFFFAOYSA-N |
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| XLogP | 25.85 |
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| TPSA | 249.26 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 22 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 152 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 2732.80 |
| LogP ≤ 5 | 25.85 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 22 |
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 159884772?
The IUPAC name of CID 159884772 (CID 159884772) is not available.
What is the SMILES notation for CID 159884772?
The canonical SMILES for CID 159884772 is CC1(C)c2[c-]c(ccc2)C(C)(C)n2ccc(n2)C(C)(C)c2ccn(n2)C(C)(C)c2[c-]c1ccc2.CC1(C)c2[c-]c(ccc2)C(C)(C)n2cnc(n2)C(C)(C)c2ncn(n2)C(C)(C)c2[c-]c1ccc2.CC1(C)c2cccc(c2O)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2cn(-c3ccccc3)c(n2)-c2cccc1c2O.Cn1cc2nc1-c1cccc(c1O)-c1ccccc1-c1cccc(c1O)-c1nc(cn1C)-c1ccccc1-2.[Pt+2].[Pt+2].[Pt].[Pt].
What is the InChIKey of CID 159884772?
The InChIKey is VOCQXTGDUBESGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4O2.C32H24N4O2.C30H34N4.C28H32N6.4Pt/c1-35(2)27-19-11-17-25(31(27)41)29-21-40(24-15-9-6-10-16-24)34(37-29)36(3,4)30-22-39(23-13-7-5-8-14-23)33(38-30)26-18-12-20-28(35)32(26)42;1-35-17-27-21-11-5-6-12-22(21)28-18-36(2)32(34-28)26-16-8-14-24(30(26)38)20-10-4-3-9-19(20)23-13-7-15-25(29(23)37)31(35)33-27;1-27(2)21-11-9-13-23(19-21)29(5,6)33-17-15-25(31-33)28(3,4)26-16-18-34(32-26)30(7,8)24-14-10-12-22(27)20-24;1-25(2)19-11-9-13-21(15-19)27(5,6)33-17-29-23(31-33)26(3,4)24-30-18-34(32-24)28(7,8)22-14-10-12-20(25)16-22;;;;/h5-22,41-42H,1-4H3;3-18,37-38H,1-2H3;9-18H,1-8H3;9-14,17-18H,1-8H3;;;;/q;;2*-2;;;2*+2.
What are the key properties of CID 159884772?
CID 159884772 has a molecular weight of 2732.80 g/mol, XLogP of 25.85, 2 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159884772 is sourced from PubChem (CID 159884772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).