About CID 162233745
CID 162233745 (PubChem CID 162233745) has the molecular formula C160H126N20O2Pt5S2
and a molecular weight of 3400.43 g/mol.
Molecular Properties
| Compound Name | CID 162233745 |
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| PubChem CID | 162233745 |
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| Molecular Formula | C160H126N20O2Pt5S2 |
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| Molecular Weight | 3400.43 g/mol |
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| Exact Mass | 3397.81 |
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| IUPAC Name | — |
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| SMILES | CC1(C)c2[c-]c(ccc2)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2[c-]c(ccc2)-c2cn(-c3ccccc3)c1n2.CC1(C)c2[c-]c(ccc2)-c2coc(n2)C(C)(C)c2[c-]c(ccc2)-c2coc1n2.CC1(C)c2[c-]c(ccc2)-c2csc(n2)C(C)(C)c2[c-]c(ccc2)-c2csc1n2.CC1(C)c2[c-]c(ccn2)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2[c-]c(ccn2)-c2cn(-c3ccccc3)c1n2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c2cccc1N(c1ccccc1)c1nc(cn1-c1ccccc1)-c1[c-]c(ccc1)N(c1ccccc1)c1nc-2cn1-c1ccccc1 |
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| InChI | InChI=1S/C42H28N6.C36H30N4.C34H28N6.C24H20N2O2.C24H20N2S2.5Pt/c1-5-17-33(18-6-1)45-29-39-31-15-13-26-38(27-31)48(36-23-11-4-12-24-36)42-44-40(30-46(42)34-19-7-2-8-20-34)32-16-14-25-37(28-32)47(41(45)43-39)35-21-9-3-10-22-35;1-35(2)27-15-11-13-25(21-27)32-24-40(30-19-9-6-10-20-30)34(38-32)36(3,4)28-16-12-14-26(22-28)31-23-39(33(35)37-31)29-17-7-5-8-18-29;1-33(2)29-19-23(15-17-35-29)28-22-40(26-13-9-6-10-14-26)32(38-28)34(3,4)30-20-24(16-18-36-30)27-21-39(31(33)37-27)25-11-7-5-8-12-25;2*1-23(2)17-9-5-7-15(11-17)20-14-28-22(26-20)24(3,4)18-10-6-8-16(12-18)19-13-27-21(23)25-19;;;;;/h1-26,29-30H;5-20,23-24H,1-4H3;5-18,21-22H,1-4H3;2*5-10,13-14H,1-4H3;;;;;/q5*-2;5*+2 |
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| InChIKey | MUDQWSHLGAGQJA-UHFFFAOYSA-N |
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| XLogP | 37.00 |
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| TPSA | 217.02 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 24 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 189 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 3400.43 |
| LogP ≤ 5 | 37.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |
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 162233745?
The IUPAC name of CID 162233745 (CID 162233745) is not available.
What is the SMILES notation for CID 162233745?
The canonical SMILES for CID 162233745 is CC1(C)c2[c-]c(ccc2)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2[c-]c(ccc2)-c2cn(-c3ccccc3)c1n2.CC1(C)c2[c-]c(ccc2)-c2coc(n2)C(C)(C)c2[c-]c(ccc2)-c2coc1n2.CC1(C)c2[c-]c(ccc2)-c2csc(n2)C(C)(C)c2[c-]c(ccc2)-c2csc1n2.CC1(C)c2[c-]c(ccn2)-c2cn(-c3ccccc3)c(n2)C(C)(C)c2[c-]c(ccn2)-c2cn(-c3ccccc3)c1n2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c2cccc1N(c1ccccc1)c1nc(cn1-c1ccccc1)-c1[c-]c(ccc1)N(c1ccccc1)c1nc-2cn1-c1ccccc1.
What is the InChIKey of CID 162233745?
The InChIKey is MUDQWSHLGAGQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N6.C36H30N4.C34H28N6.C24H20N2O2.C24H20N2S2.5Pt/c1-5-17-33(18-6-1)45-29-39-31-15-13-26-38(27-31)48(36-23-11-4-12-24-36)42-44-40(30-46(42)34-19-7-2-8-20-34)32-16-14-25-37(28-32)47(41(45)43-39)35-21-9-3-10-22-35;1-35(2)27-15-11-13-25(21-27)32-24-40(30-19-9-6-10-20-30)34(38-32)36(3,4)28-16-12-14-26(22-28)31-23-39(33(35)37-31)29-17-7-5-8-18-29;1-33(2)29-19-23(15-17-35-29)28-22-40(26-13-9-6-10-14-26)32(38-28)34(3,4)30-20-24(16-18-36-30)27-21-39(31(33)37-27)25-11-7-5-8-12-25;2*1-23(2)17-9-5-7-15(11-17)20-14-28-22(26-20)24(3,4)18-10-6-8-16(12-18)19-13-27-21(23)25-19;;;;;/h1-26,29-30H;5-20,23-24H,1-4H3;5-18,21-22H,1-4H3;2*5-10,13-14H,1-4H3;;;;;/q5*-2;5*+2.
What are the key properties of CID 162233745?
CID 162233745 has a molecular weight of 3400.43 g/mol, XLogP of 37.00, 8 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162233745 is sourced from PubChem (CID 162233745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).