About CID 157368733
CID 157368733 (PubChem CID 157368733) has the molecular formula C128H88N22O2Pt5S2
and a molecular weight of 3005.79 g/mol.
Molecular Properties
| Compound Name | CID 157368733 |
|---|
| PubChem CID | 157368733 |
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| Molecular Formula | C128H88N22O2Pt5S2 |
|---|
| Molecular Weight | 3005.79 g/mol |
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| Exact Mass | 3003.51 |
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| IUPAC Name | — |
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| SMILES | C(=C1[N-]c2ccccc2N1c1ccccc1)c1cccc(-c2cccc(C=C3[N-]c4ccccc4N3c3ccccc3)n2)n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c2cccc1-c1cccc(n1)Oc1cccc(n1)-c1[c-]c(ccc1)O2.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.c1ccc(N(c2cccc(-c3nccs3)n2)c2cccc(-c3nccs3)n2)cc1 |
|---|
| InChI | InChI=1S/C38H26N6.C28H19N3.C22H15N5S2.C22H12N2O2.2C9H8N3.5Pt/c1-3-15-29(16-4-1)43-35-23-9-7-19-33(35)41-37(43)25-27-13-11-21-31(39-27)32-22-12-14-28(40-32)26-38-42-34-20-8-10-24-36(34)44(38)30-17-5-2-6-18-30;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;1-2-6-16(7-3-1)27(19-10-4-8-17(25-19)21-23-12-14-28-21)20-11-5-9-18(26-20)22-24-13-15-29-22;1-5-15-13-17(7-1)25-18-8-2-6-16(14-18)20-10-4-12-22(24-20)26-21-11-3-9-19(15)23-21;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;;;;;/h1-26H;1-12,14,16-21H;1-15H;1-12H;2*2-6H,1H3;;;;;/q2*-2;;-2;2*-1;;4*+2 |
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| InChIKey | OLKSNLXAOLBKIQ-UHFFFAOYSA-N |
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| XLogP | 31.64 |
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| TPSA | 268.28 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 22 |
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| Rotatable Bonds | 17 |
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| Heavy Atoms | 159 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 3005.79 |
| LogP ≤ 5 | 31.64 |
| 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 157368733?
The IUPAC name of CID 157368733 (CID 157368733) is not available.
What is the SMILES notation for CID 157368733?
The canonical SMILES for CID 157368733 is C(=C1[N-]c2ccccc2N1c1ccccc1)c1cccc(-c2cccc(C=C3[N-]c4ccccc4N3c3ccccc3)n2)n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c2cccc1-c1cccc(n1)Oc1cccc(n1)-c1[c-]c(ccc1)O2.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.c1ccc(N(c2cccc(-c3nccs3)n2)c2cccc(-c3nccs3)n2)cc1.
What is the InChIKey of CID 157368733?
The InChIKey is OLKSNLXAOLBKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N6.C28H19N3.C22H15N5S2.C22H12N2O2.2C9H8N3.5Pt/c1-3-15-29(16-4-1)43-35-23-9-7-19-33(35)41-37(43)25-27-13-11-21-31(39-27)32-22-12-14-28(40-32)26-38-42-34-20-8-10-24-36(34)44(38)30-17-5-2-6-18-30;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;1-2-6-16(7-3-1)27(19-10-4-8-17(25-19)21-23-12-14-28-21)20-11-5-9-18(26-20)22-24-13-15-29-22;1-5-15-13-17(7-1)25-18-8-2-6-16(14-18)20-10-4-12-22(24-20)26-21-11-3-9-19(15)23-21;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;;;;;/h1-26H;1-12,14,16-21H;1-15H;1-12H;2*2-6H,1H3;;;;;/q2*-2;;-2;2*-1;;4*+2.
What are the key properties of CID 157368733?
CID 157368733 has a molecular weight of 3005.79 g/mol, XLogP of 31.64, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157368733 is sourced from PubChem (CID 157368733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).