About CID 159103885
CID 159103885 (PubChem CID 159103885) has the molecular formula C148H130N16O2Pt5S2
and a molecular weight of 3204.30 g/mol.
Molecular Properties
| Compound Name | CID 159103885 |
|---|
| PubChem CID | 159103885 |
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| Molecular Formula | C148H130N16O2Pt5S2 |
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| Molecular Weight | 3204.30 g/mol |
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| Exact Mass | 3201.82 |
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| IUPAC Name | — |
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| SMILES | CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2cn(-c3ccccc3)c(n2)-c2nc1cn2-c1ccccc1.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2coc(n2)-c2nc1co2.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2csc(n2)-c2nc1cs2.Cc1ccccc1-n1cc2nc1-c1nc(cn1-c1ccccc1C)C(C)(C)c1[c-]c(ccc1)-c1[c-]c(ccc1)C2(C)C.Cn1cc2nc1-c1nc(cn1C)C(C)(C)c1[c-]c(ccc1)-c1[c-]c(ccc1)C2(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
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| InChI | InChI=1S/C38H34N4.C36H30N4.C26H26N4.C24H20N2O2.C24H20N2S2.5Pt/c1-25-13-7-9-19-31(25)41-23-33-37(3,4)29-17-11-15-27(21-29)28-16-12-18-30(22-28)38(5,6)34-24-42(36(40-34)35(41)39-33)32-20-10-8-14-26(32)2;1-35(2)27-15-11-13-25(21-27)26-14-12-16-28(22-26)36(3,4)32-24-40(30-19-9-6-10-20-30)34(38-32)33-37-31(35)23-39(33)29-17-7-5-8-18-29;1-25(2)19-11-7-9-17(13-19)18-10-8-12-20(14-18)26(3,4)22-16-30(6)24(28-22)23-27-21(25)15-29(23)5;2*1-23(2)17-9-5-7-15(11-17)16-8-6-10-18(12-16)24(3,4)20-14-28-22(26-20)21-25-19(23)13-27-21;;;;;/h7-20,23-24H,1-6H3;5-20,23-24H,1-4H3;7-12,15-16H,1-6H3;2*5-10,13-14H,1-4H3;;;;;/q5*-2;5*+2 |
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| InChIKey | PUTQVPDMWMUKQO-UHFFFAOYSA-N |
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| XLogP | 33.63 |
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| TPSA | 184.76 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 20 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 173 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 3204.30 |
| LogP ≤ 5 | 33.63 |
| 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 159103885?
The IUPAC name of CID 159103885 (CID 159103885) is not available.
What is the SMILES notation for CID 159103885?
The canonical SMILES for CID 159103885 is CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2cn(-c3ccccc3)c(n2)-c2nc1cn2-c1ccccc1.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2coc(n2)-c2nc1co2.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2csc(n2)-c2nc1cs2.Cc1ccccc1-n1cc2nc1-c1nc(cn1-c1ccccc1C)C(C)(C)c1[c-]c(ccc1)-c1[c-]c(ccc1)C2(C)C.Cn1cc2nc1-c1nc(cn1C)C(C)(C)c1[c-]c(ccc1)-c1[c-]c(ccc1)C2(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 159103885?
The InChIKey is PUTQVPDMWMUKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4.C36H30N4.C26H26N4.C24H20N2O2.C24H20N2S2.5Pt/c1-25-13-7-9-19-31(25)41-23-33-37(3,4)29-17-11-15-27(21-29)28-16-12-18-30(22-28)38(5,6)34-24-42(36(40-34)35(41)39-33)32-20-10-8-14-26(32)2;1-35(2)27-15-11-13-25(21-27)26-14-12-16-28(22-26)36(3,4)32-24-40(30-19-9-6-10-20-30)34(38-32)33-37-31(35)23-39(33)29-17-7-5-8-18-29;1-25(2)19-11-7-9-17(13-19)18-10-8-12-20(14-18)26(3,4)22-16-30(6)24(28-22)23-27-21(25)15-29(23)5;2*1-23(2)17-9-5-7-15(11-17)16-8-6-10-18(12-16)24(3,4)20-14-28-22(26-20)21-25-19(23)13-27-21;;;;;/h7-20,23-24H,1-6H3;5-20,23-24H,1-4H3;7-12,15-16H,1-6H3;2*5-10,13-14H,1-4H3;;;;;/q5*-2;5*+2.
What are the key properties of CID 159103885?
CID 159103885 has a molecular weight of 3204.30 g/mol, XLogP of 33.63, 4 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159103885 is sourced from PubChem (CID 159103885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).