About CID 158927370
CID 158927370 (PubChem CID 158927370) has the molecular formula C112H77F13N15O2Pt4-
and a molecular weight of 2692.24 g/mol.
Molecular Properties
| Compound Name | CID 158927370 |
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| PubChem CID | 158927370 |
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| Molecular Formula | C112H77F13N15O2Pt4- |
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| Molecular Weight | 2692.24 g/mol |
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| Exact Mass | 2690.48 |
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| IUPAC Name | — |
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| SMILES | CC1(C)c2cccc(n2)-c2[c-]c(c(F)c(F)c2F)-c2cccc(n2)C(C)(C)c2ccc1[n-]2.Cn1c(-c2[c-]c(-c3nc4c(C(=O)[N-]c5ccccc5)cccc4n3C)cc(C(F)(F)F)c2)nc2ccccc21.Cn1c(-c2[c-]c(-c3nc4c(C(C)(C)c5[c-]cc(F)cc5F)cccc4n3C)cc(C#N)c2)nc2ccccc21.Oc1ccccc1Cc1cccc(-c2[c-]c(-c3ccccn3)c(F)c(C(F)(F)F)c2F)n1.[Pt+2].[Pt+2].[Pt+2].[Pt] |
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| InChI | InChI=1S/C32H23F2N5.C30H21F3N5O.C26H20F3N3.C24H14F5N2O.4Pt/c1-32(2,23-13-12-22(33)17-25(23)34)24-8-7-11-28-29(24)37-31(39(28)4)21-15-19(18-35)14-20(16-21)30-36-26-9-5-6-10-27(26)38(30)3;1-37-24-13-7-6-12-23(24)35-27(37)18-15-19(17-20(16-18)30(31,32)33)28-36-26-22(11-8-14-25(26)38(28)2)29(39)34-21-9-4-3-5-10-21;1-25(2)18-9-5-7-16(30-18)14-13-15(23(28)24(29)22(14)27)17-8-6-10-19(31-17)26(3,4)21-12-11-20(25)32-21;25-22-16(18-8-3-4-11-30-18)13-17(23(26)21(22)24(27,28)29)19-9-5-7-15(31-19)12-14-6-1-2-10-20(14)32;;;;/h5-12,14-15,17H,1-4H3;3-14,16-17H,1-2H3,(H,34,39);5-12H,1-4H3;1-11,32H,12H2;;;;/q-2;-1;-2;-1;;3*+2/p-1 |
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| InChIKey | FUCBTCRYVOJVNT-UHFFFAOYSA-M |
|---|
| XLogP | 26.47 |
|---|
| TPSA | 212.13 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 15 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 146 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 2692.24 |
| LogP ≤ 5 | 26.47 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 15 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 158927370?
The IUPAC name of CID 158927370 (CID 158927370) is not available.
What is the SMILES notation for CID 158927370?
The canonical SMILES for CID 158927370 is CC1(C)c2cccc(n2)-c2[c-]c(c(F)c(F)c2F)-c2cccc(n2)C(C)(C)c2ccc1[n-]2.Cn1c(-c2[c-]c(-c3nc4c(C(=O)[N-]c5ccccc5)cccc4n3C)cc(C(F)(F)F)c2)nc2ccccc21.Cn1c(-c2[c-]c(-c3nc4c(C(C)(C)c5[c-]cc(F)cc5F)cccc4n3C)cc(C#N)c2)nc2ccccc21.Oc1ccccc1Cc1cccc(-c2[c-]c(-c3ccccn3)c(F)c(C(F)(F)F)c2F)n1.[Pt+2].[Pt+2].[Pt+2].[Pt].
What is the InChIKey of CID 158927370?
The InChIKey is FUCBTCRYVOJVNT-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H23F2N5.C30H21F3N5O.C26H20F3N3.C24H14F5N2O.4Pt/c1-32(2,23-13-12-22(33)17-25(23)34)24-8-7-11-28-29(24)37-31(39(28)4)21-15-19(18-35)14-20(16-21)30-36-26-9-5-6-10-27(26)38(30)3;1-37-24-13-7-6-12-23(24)35-27(37)18-15-19(17-20(16-18)30(31,32)33)28-36-26-22(11-8-14-25(26)38(28)2)29(39)34-21-9-4-3-5-10-21;1-25(2)18-9-5-7-16(30-18)14-13-15(23(28)24(29)22(14)27)17-8-6-10-19(31-17)26(3,4)21-12-11-20(25)32-21;25-22-16(18-8-3-4-11-30-18)13-17(23(26)21(22)24(27,28)29)19-9-5-7-15(31-19)12-14-6-1-2-10-20(14)32;;;;/h5-12,14-15,17H,1-4H3;3-14,16-17H,1-2H3,(H,34,39);5-12H,1-4H3;1-11,32H,12H2;;;;/q-2;-1;-2;-1;;3*+2/p-1.
What are the key properties of CID 158927370?
CID 158927370 has a molecular weight of 2692.24 g/mol, XLogP of 26.47, 12 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158927370 is sourced from PubChem (CID 158927370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).