About CID 157197041
CID 157197041 (PubChem CID 157197041) has the molecular formula C128H108F16N12Pt4
and a molecular weight of 2898.64 g/mol.
Molecular Properties
| Compound Name | CID 157197041 |
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| PubChem CID | 157197041 |
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| Molecular Formula | C128H108F16N12Pt4 |
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| Molecular Weight | 2898.64 g/mol |
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| Exact Mass | 2896.72 |
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| IUPAC Name | — |
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| SMILES | CC1(C)c2[c-]c3c(cc2)ccc2ccc(nc23)C(C)(C)c2[c-]c3c(cc2)ccc2ccc1nc23.CC1(C)c2cccc(n2)-c2[c-]c(c(C(F)(F)F)cc2C(F)(F)F)C(C)(C)c2cccc(n2)-c2[c-]c1c(C(F)(F)F)cc2C(F)(F)F.CN(C)c1cc2nc(c1)C(C)(C)c1[c-]c(c(F)cc1F)-c1cc(N(C)C)cc(n1)C(C)(C)c1[c-]c-2c(F)cc1F.CN(C)c1cc2nc(c1)C(C)(C)c1[c-]c(ccc1)-c1cc(N(C)C)cc(n1)C(C)(C)c1[c-]c-2ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
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| InChI | InChI=1S/C32H20F12N2.C32H30F4N4.C32H34N4.C32H24N2.4Pt/c1-27(2)19-11-15(17(29(33,34)35)13-21(19)31(39,40)41)24-8-6-10-26(46-24)28(3,4)20-12-16(23-7-5-9-25(27)45-23)18(30(36,37)38)14-22(20)32(42,43)44;1-31(2)21-13-19(23(33)15-25(21)35)28-10-18(40(7)8)12-30(38-28)32(3,4)22-14-20(24(34)16-26(22)36)27-9-17(39(5)6)11-29(31)37-27;1-31(2)23-13-9-11-21(15-23)28-18-26(36(7)8)20-30(34-28)32(3,4)24-14-10-12-22(16-24)27-17-25(35(5)6)19-29(31)33-27;1-31(2)23-13-9-19-5-8-22-12-16-28(34-30(22)25(19)17-23)32(3,4)24-14-10-20-6-7-21-11-15-27(31)33-29(21)26(20)18-24;;;;/h5-10,13-14H,1-4H3;9-12,15-16H,1-8H3;9-14,17-20H,1-8H3;5-16H,1-4H3;;;;/q4*-2;4*+2 |
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| InChIKey | XJKINCCLODOPIM-UHFFFAOYSA-N |
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| XLogP | 31.67 |
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| TPSA | 116.08 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 160 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 2898.64 |
| LogP ≤ 5 | 31.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 157197041?
The IUPAC name of CID 157197041 (CID 157197041) is not available.
What is the SMILES notation for CID 157197041?
The canonical SMILES for CID 157197041 is CC1(C)c2[c-]c3c(cc2)ccc2ccc(nc23)C(C)(C)c2[c-]c3c(cc2)ccc2ccc1nc23.CC1(C)c2cccc(n2)-c2[c-]c(c(C(F)(F)F)cc2C(F)(F)F)C(C)(C)c2cccc(n2)-c2[c-]c1c(C(F)(F)F)cc2C(F)(F)F.CN(C)c1cc2nc(c1)C(C)(C)c1[c-]c(c(F)cc1F)-c1cc(N(C)C)cc(n1)C(C)(C)c1[c-]c-2c(F)cc1F.CN(C)c1cc2nc(c1)C(C)(C)c1[c-]c(ccc1)-c1cc(N(C)C)cc(n1)C(C)(C)c1[c-]c-2ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 157197041?
The InChIKey is XJKINCCLODOPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20F12N2.C32H30F4N4.C32H34N4.C32H24N2.4Pt/c1-27(2)19-11-15(17(29(33,34)35)13-21(19)31(39,40)41)24-8-6-10-26(46-24)28(3,4)20-12-16(23-7-5-9-25(27)45-23)18(30(36,37)38)14-22(20)32(42,43)44;1-31(2)21-13-19(23(33)15-25(21)35)28-10-18(40(7)8)12-30(38-28)32(3,4)22-14-20(24(34)16-26(22)36)27-9-17(39(5)6)11-29(31)37-27;1-31(2)23-13-9-11-21(15-23)28-18-26(36(7)8)20-30(34-28)32(3,4)24-14-10-12-22(16-24)27-17-25(35(5)6)19-29(31)33-27;1-31(2)23-13-9-19-5-8-22-12-16-28(34-30(22)25(19)17-23)32(3,4)24-14-10-20-6-7-21-11-15-27(31)33-29(21)26(20)18-24;;;;/h5-10,13-14H,1-4H3;9-12,15-16H,1-8H3;9-14,17-20H,1-8H3;5-16H,1-4H3;;;;/q4*-2;4*+2.
What are the key properties of CID 157197041?
CID 157197041 has a molecular weight of 2898.64 g/mol, XLogP of 31.67, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157197041 is sourced from PubChem (CID 157197041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).