About CID 159178051
CID 159178051 (PubChem CID 159178051) has the molecular formula C142H105N13O2Pt4SSi
and a molecular weight of 2865.96 g/mol.
Molecular Properties
| Compound Name | CID 159178051 |
|---|
| PubChem CID | 159178051 |
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| Molecular Formula | C142H105N13O2Pt4SSi |
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| Molecular Weight | 2865.96 g/mol |
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| Exact Mass | 2863.66 |
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| IUPAC Name | — |
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| SMILES | CC1(C)c2ccc(-c3cccc(Oc4ccccn4)n3)[c-]c2N(c2[c-]cccc2)c2ccccc21.CC1(C)c2ccc3[c-]c2N(c2[c-]c(ccc2)-c2cccc(n2)Sc2cccc-3n2)c2ccccc21.CC1(C)c2ccc3[c-]c2N(c2[c-]c(ccc2)-c2cccc(n2)[Si](c2ccccc2)(c2ccccc2)c2cccc-3n2)c2ccccc21.Cc1cccc(C)c1-n1cc(Oc2ccccn2)nc1-c1[c-]c2c(cc1)C(C)(C)c1ccccc1N2c1[c-]cccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
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| InChI | InChI=1S/C43H31N3Si.C37H30N4O.C31H23N3O.C31H21N3S.4Pt/c1-43(2)35-20-9-10-23-39(35)46-32-15-11-14-30(28-32)37-21-12-24-41(44-37)47(33-16-5-3-6-17-33,34-18-7-4-8-19-34)42-25-13-22-38(45-42)31-26-27-36(43)40(46)29-31;1-25-13-12-14-26(2)35(25)40-24-34(42-33-19-10-11-22-38-33)39-36(40)27-20-21-30-32(23-27)41(28-15-6-5-7-16-28)31-18-9-8-17-29(31)37(30,3)4;1-31(2)24-13-6-7-15-27(24)34(23-11-4-3-5-12-23)28-21-22(18-19-25(28)31)26-14-10-17-30(33-26)35-29-16-8-9-20-32-29;1-31(2)23-10-3-4-13-27(23)34-22-9-5-8-20(18-22)25-11-6-14-29(32-25)35-30-15-7-12-26(33-30)21-16-17-24(31)28(34)19-21;;;;/h3-27H,1-2H3;5-15,17-22,24H,1-4H3;3-11,13-20H,1-2H3;3-17H,1-2H3;;;;/q4*-2;4*+2 |
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| InChIKey | QVZHXVJZIYAZQC-UHFFFAOYSA-N |
|---|
| XLogP | 31.88 |
|---|
| TPSA | 139.47 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 16 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 163 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 2865.96 |
| LogP ≤ 5 | 31.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 159178051?
The IUPAC name of CID 159178051 (CID 159178051) is not available.
What is the SMILES notation for CID 159178051?
The canonical SMILES for CID 159178051 is CC1(C)c2ccc(-c3cccc(Oc4ccccn4)n3)[c-]c2N(c2[c-]cccc2)c2ccccc21.CC1(C)c2ccc3[c-]c2N(c2[c-]c(ccc2)-c2cccc(n2)Sc2cccc-3n2)c2ccccc21.CC1(C)c2ccc3[c-]c2N(c2[c-]c(ccc2)-c2cccc(n2)[Si](c2ccccc2)(c2ccccc2)c2cccc-3n2)c2ccccc21.Cc1cccc(C)c1-n1cc(Oc2ccccn2)nc1-c1[c-]c2c(cc1)C(C)(C)c1ccccc1N2c1[c-]cccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 159178051?
The InChIKey is QVZHXVJZIYAZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3Si.C37H30N4O.C31H23N3O.C31H21N3S.4Pt/c1-43(2)35-20-9-10-23-39(35)46-32-15-11-14-30(28-32)37-21-12-24-41(44-37)47(33-16-5-3-6-17-33,34-18-7-4-8-19-34)42-25-13-22-38(45-42)31-26-27-36(43)40(46)29-31;1-25-13-12-14-26(2)35(25)40-24-34(42-33-19-10-11-22-38-33)39-36(40)27-20-21-30-32(23-27)41(28-15-6-5-7-16-28)31-18-9-8-17-29(31)37(30,3)4;1-31(2)24-13-6-7-15-27(24)34(23-11-4-3-5-12-23)28-21-22(18-19-25(28)31)26-14-10-17-30(33-26)35-29-16-8-9-20-32-29;1-31(2)23-10-3-4-13-27(23)34-22-9-5-8-20(18-22)25-11-6-14-29(32-25)35-30-15-7-12-26(33-30)21-16-17-24(31)28(34)19-21;;;;/h3-27H,1-2H3;5-15,17-22,24H,1-4H3;3-11,13-20H,1-2H3;3-17H,1-2H3;;;;/q4*-2;4*+2.
What are the key properties of CID 159178051?
CID 159178051 has a molecular weight of 2865.96 g/mol, XLogP of 31.88, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159178051 is sourced from PubChem (CID 159178051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).