About CID 160900538
CID 160900538 (PubChem CID 160900538) has the molecular formula C141H95N10OPPt4
and a molecular weight of 2756.67 g/mol.
Molecular Properties
| Compound Name | CID 160900538 |
|---|
| PubChem CID | 160900538 |
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| Molecular Formula | C141H95N10OPPt4 |
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| Molecular Weight | 2756.67 g/mol |
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| Exact Mass | 2754.60 |
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| IUPAC Name | — |
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| SMILES | CC1(C)c2ccc(N(c3[c-]c4c(cc3)C(C)(C)c3cccc5ccnc-4c35)c3ccccc3)[c-]c2-c2nccc3cccc1c23.O=P(c1[c-]c(-c2ccccn2)ccc1)(c1[c-]c(-c2ccccn2)ccc1)c1ccccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccccc1.[c-]1ccccc1-c1nc(C2(c3cc4ccccc4c(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)cc2ccccc12 |
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| InChI | InChI=1S/C43H26N2.C42H31N3.C28H19N3.C28H19N2OP.4Pt/c1-3-15-29(16-4-1)41-33-21-9-7-19-31(33)27-39(44-41)43(37-25-13-11-23-35(37)36-24-12-14-26-38(36)43)40-28-32-20-8-10-22-34(32)42(45-40)30-17-5-2-6-18-30;1-41(2)33-18-16-29(24-31(33)39-37-26(20-22-43-39)10-8-14-35(37)41)45(28-12-6-5-7-13-28)30-17-19-34-32(25-30)40-38-27(21-23-44-40)11-9-15-36(38)42(34,3)4;1-2-12-24(13-3-1)31(25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;31-32(24-12-2-1-3-13-24,25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;;;;/h1-15,17,19-28H;5-23H,1-4H3;1-19H;1-19H;;;;/q4*-2;4*+2 |
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| InChIKey | HYJUCEBDSOIZKP-UHFFFAOYSA-N |
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| XLogP | 32.47 |
|---|
| TPSA | 126.67 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 17 |
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| Heavy Atoms | 157 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 2756.67 |
| LogP ≤ 5 | 32.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 160900538?
The IUPAC name of CID 160900538 (CID 160900538) is not available.
What is the SMILES notation for CID 160900538?
The canonical SMILES for CID 160900538 is CC1(C)c2ccc(N(c3[c-]c4c(cc3)C(C)(C)c3cccc5ccnc-4c35)c3ccccc3)[c-]c2-c2nccc3cccc1c23.O=P(c1[c-]c(-c2ccccn2)ccc1)(c1[c-]c(-c2ccccn2)ccc1)c1ccccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1ccccc1.[c-]1ccccc1-c1nc(C2(c3cc4ccccc4c(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)cc2ccccc12.
What is the InChIKey of CID 160900538?
The InChIKey is HYJUCEBDSOIZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2.C42H31N3.C28H19N3.C28H19N2OP.4Pt/c1-3-15-29(16-4-1)41-33-21-9-7-19-31(33)27-39(44-41)43(37-25-13-11-23-35(37)36-24-12-14-26-38(36)43)40-28-32-20-8-10-22-34(32)42(45-40)30-17-5-2-6-18-30;1-41(2)33-18-16-29(24-31(33)39-37-26(20-22-43-39)10-8-14-35(37)41)45(28-12-6-5-7-13-28)30-17-19-34-32(25-30)40-38-27(21-23-44-40)11-9-15-36(38)42(34,3)4;1-2-12-24(13-3-1)31(25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;31-32(24-12-2-1-3-13-24,25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;;;;/h1-15,17,19-28H;5-23H,1-4H3;1-19H;1-19H;;;;/q4*-2;4*+2.
What are the key properties of CID 160900538?
CID 160900538 has a molecular weight of 2756.67 g/mol, XLogP of 32.47, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160900538 is sourced from PubChem (CID 160900538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).