About CID 157395533
CID 157395533 (PubChem CID 157395533) has the molecular formula C144H124N18O2Pt5S2
and a molecular weight of 3178.22 g/mol.
Molecular Properties
| Compound Name | CID 157395533 |
|---|
| PubChem CID | 157395533 |
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| Molecular Formula | C144H124N18O2Pt5S2 |
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| Molecular Weight | 3178.22 g/mol |
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| Exact Mass | 3175.78 |
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| IUPAC Name | — |
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| SMILES | CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2nc(cn2-c2ccccc2)-c2cn(-c3ccccc3)c1n2.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2nc(co2)-c2coc1n2.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2nc(cs2)-c2csc1n2.CC1(C)c2[c-]c(ccn2)-c2[c-]c(ncc2)C(C)(C)c2nc(cn2-c2ccccc2)-c2cn(-c3ccccc3)c1n2.Cn1cc2nc1C(C)(C)c1[c-]c(ccc1)-c1[c-]c(ccc1)C(C)(C)c1nc-2cn1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
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| InChI | InChI=1S/C36H30N4.C34H28N6.C26H26N4.C24H20N2O2.C24H20N2S2.5Pt/c1-35(2)27-15-11-13-25(21-27)26-14-12-16-28(22-26)36(3,4)34-38-32(24-40(34)30-19-9-6-10-20-30)31-23-39(33(35)37-31)29-17-7-5-8-18-29;1-33(2)29-19-23(15-17-35-29)24-16-18-36-30(20-24)34(3,4)32-38-28(22-40(32)26-13-9-6-10-14-26)27-21-39(31(33)37-27)25-11-7-5-8-12-25;1-25(2)19-11-7-9-17(13-19)18-10-8-12-20(14-18)26(3,4)24-28-22(16-30(24)6)21-15-29(5)23(25)27-21;2*1-23(2)17-9-5-7-15(11-17)16-8-6-10-18(12-16)24(3,4)22-26-20(14-28-22)19-13-27-21(23)25-19;;;;;/h5-20,23-24H,1-4H3;5-18,21-22H,1-4H3;7-12,15-16H,1-6H3;2*5-10,13-14H,1-4H3;;;;;/q5*-2;5*+2 |
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| InChIKey | KSZWQMPAQPTLTF-UHFFFAOYSA-N |
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| XLogP | 31.81 |
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| TPSA | 210.54 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 22 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 171 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 3178.22 |
| LogP ≤ 5 | 31.81 |
| H-Bond Donors ≤ 5 | 0 |
| 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 157395533?
The IUPAC name of CID 157395533 (CID 157395533) is not available.
What is the SMILES notation for CID 157395533?
The canonical SMILES for CID 157395533 is CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2nc(cn2-c2ccccc2)-c2cn(-c3ccccc3)c1n2.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2nc(co2)-c2coc1n2.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2nc(cs2)-c2csc1n2.CC1(C)c2[c-]c(ccn2)-c2[c-]c(ncc2)C(C)(C)c2nc(cn2-c2ccccc2)-c2cn(-c3ccccc3)c1n2.Cn1cc2nc1C(C)(C)c1[c-]c(ccc1)-c1[c-]c(ccc1)C(C)(C)c1nc-2cn1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 157395533?
The InChIKey is KSZWQMPAQPTLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N4.C34H28N6.C26H26N4.C24H20N2O2.C24H20N2S2.5Pt/c1-35(2)27-15-11-13-25(21-27)26-14-12-16-28(22-26)36(3,4)34-38-32(24-40(34)30-19-9-6-10-20-30)31-23-39(33(35)37-31)29-17-7-5-8-18-29;1-33(2)29-19-23(15-17-35-29)24-16-18-36-30(20-24)34(3,4)32-38-28(22-40(32)26-13-9-6-10-14-26)27-21-39(31(33)37-27)25-11-7-5-8-12-25;1-25(2)19-11-7-9-17(13-19)18-10-8-12-20(14-18)26(3,4)24-28-22(16-30(24)6)21-15-29(5)23(25)27-21;2*1-23(2)17-9-5-7-15(11-17)16-8-6-10-18(12-16)24(3,4)22-26-20(14-28-22)19-13-27-21(23)25-19;;;;;/h5-20,23-24H,1-4H3;5-18,21-22H,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 157395533?
CID 157395533 has a molecular weight of 3178.22 g/mol, XLogP of 31.81, 4 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157395533 is sourced from PubChem (CID 157395533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).