About CID 163465069
CID 163465069 (PubChem CID 163465069) has the molecular formula C171H169N15O2Pt3
and a molecular weight of 3051.57 g/mol.
Molecular Properties
| Compound Name | CID 163465069 |
|---|
| PubChem CID | 163465069 |
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| Molecular Formula | C171H169N15O2Pt3 |
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| Molecular Weight | 3051.57 g/mol |
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| Exact Mass | 3049.25 |
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| IUPAC Name | — |
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| SMILES | C.C.C.CC(C)c1cccc(C(C)C)c1-c1cnn(-c2[c-]c(-n3c4[c-]c(-n5cc(-c6c(C(C)C)cccc6C(C)C)cn5)ccc4c4ccccc4c4ccccc4c4ccccc43)ccc2)c1.CC(C)c1cccc(C(C)C)c1-c1cnn(-c2[c-]c(-n3c4[c-]c(-n5cc(-c6c(C(C)C)cccc6C(C)C)cn5)ccc4c4ccccc4oc4ccccc43)ccc2)c1.CC(C)c1cccc(C(C)C)c1-c1cnn(-c2[c-]c(-n3c4[c-]c(-n5cc(-c6c(C(C)C)cccc6C(C)C)cn5)ccc4oc4ccccc4c4ccccc43)ccc2)c1.[Pt+2].[Pt+2].[Pt+2] |
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| InChI | InChI=1S/C60H55N5.2C54H51N5O.3CH4.3Pt/c1-38(2)47-25-16-26-48(39(3)4)59(47)42-34-61-63(36-42)44-18-15-19-46(32-44)65-57-29-14-13-24-55(57)53-22-11-9-20-51(53)52-21-10-12-23-54(52)56-31-30-45(33-58(56)65)64-37-43(35-62-64)60-49(40(5)6)27-17-28-50(60)41(7)8;1-34(2)43-19-14-20-44(35(3)4)53(43)38-30-55-57(32-38)40-16-13-17-42(28-40)59-49-23-10-12-25-52(49)60-51-24-11-9-18-48(51)47-27-26-41(29-50(47)59)58-33-39(31-56-58)54-45(36(5)6)21-15-22-46(54)37(7)8;1-34(2)43-20-14-21-44(35(3)4)53(43)38-30-55-57(32-38)40-16-13-17-42(28-40)59-49-24-11-9-18-47(49)48-19-10-12-25-51(48)60-52-27-26-41(29-50(52)59)58-33-39(31-56-58)54-45(36(5)6)22-15-23-46(54)37(7)8;;;;;;/h9-31,34-41H,1-8H3;2*9-27,30-37H,1-8H3;3*1H4;;;/q3*-2;;;;3*+2 |
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| InChIKey | QFXDSSQZYJSUTP-UHFFFAOYSA-N |
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| XLogP | 46.82 |
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| TPSA | 147.99 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 17 |
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| Rotatable Bonds | 27 |
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| Heavy Atoms | 191 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 3051.57 |
| LogP ≤ 5 | 46.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |
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 163465069?
The IUPAC name of CID 163465069 (CID 163465069) is not available.
What is the SMILES notation for CID 163465069?
The canonical SMILES for CID 163465069 is C.C.C.CC(C)c1cccc(C(C)C)c1-c1cnn(-c2[c-]c(-n3c4[c-]c(-n5cc(-c6c(C(C)C)cccc6C(C)C)cn5)ccc4c4ccccc4c4ccccc4c4ccccc43)ccc2)c1.CC(C)c1cccc(C(C)C)c1-c1cnn(-c2[c-]c(-n3c4[c-]c(-n5cc(-c6c(C(C)C)cccc6C(C)C)cn5)ccc4c4ccccc4oc4ccccc43)ccc2)c1.CC(C)c1cccc(C(C)C)c1-c1cnn(-c2[c-]c(-n3c4[c-]c(-n5cc(-c6c(C(C)C)cccc6C(C)C)cn5)ccc4oc4ccccc4c4ccccc43)ccc2)c1.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 163465069?
The InChIKey is QFXDSSQZYJSUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H55N5.2C54H51N5O.3CH4.3Pt/c1-38(2)47-25-16-26-48(39(3)4)59(47)42-34-61-63(36-42)44-18-15-19-46(32-44)65-57-29-14-13-24-55(57)53-22-11-9-20-51(53)52-21-10-12-23-54(52)56-31-30-45(33-58(56)65)64-37-43(35-62-64)60-49(40(5)6)27-17-28-50(60)41(7)8;1-34(2)43-19-14-20-44(35(3)4)53(43)38-30-55-57(32-38)40-16-13-17-42(28-40)59-49-23-10-12-25-52(49)60-51-24-11-9-18-48(51)47-27-26-41(29-50(47)59)58-33-39(31-56-58)54-45(36(5)6)21-15-22-46(54)37(7)8;1-34(2)43-20-14-21-44(35(3)4)53(43)38-30-55-57(32-38)40-16-13-17-42(28-40)59-49-24-11-9-18-47(49)48-19-10-12-25-51(48)60-52-27-26-41(29-50(52)59)58-33-39(31-56-58)54-45(36(5)6)22-15-23-46(54)37(7)8;;;;;;/h9-31,34-41H,1-8H3;2*9-27,30-37H,1-8H3;3*1H4;;;/q3*-2;;;;3*+2.
What are the key properties of CID 163465069?
CID 163465069 has a molecular weight of 3051.57 g/mol, XLogP of 46.82, 27 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163465069 is sourced from PubChem (CID 163465069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).