About CID 159925190
CID 159925190 (PubChem CID 159925190) has the molecular formula C138H158N14O2Pt4
and a molecular weight of 2825.19 g/mol.
Molecular Properties
| Compound Name | CID 159925190 |
|---|
| PubChem CID | 159925190 |
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| Molecular Formula | C138H158N14O2Pt4 |
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| Molecular Weight | 2825.19 g/mol |
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| Exact Mass | 2823.13 |
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| IUPAC Name | — |
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| SMILES | CC1(C)c2[c-]c(ccc2)C(=O)c2cccc(n2)C(C)(C)c2[c-]c(ccc2)C(=O)c2cccc1n2.CC1(C)c2[c-]c(cnc2)C(C)(C)c2cccc(n2)C(C)(C)c2[c-]c(cnc2)C(C)(C)c2cccc1n2.CCc1c2[n-]c(c1CC)C(C)(C)c1[n-]c(c(CC)c1CC)C(C)(C)c1cccc(n1)C(C)(C)c1cccc(n1)C2(C)C.CCc1c2[n-]c(c1CC)C(C)(C)c1cccc(n1)C(C)(C)c1[n-]c(c(CC)c1CC)C(C)(C)c1cccc(n1)C2(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
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| InChI | InChI=1S/2C38H50N4.C32H34N4.C30H24N2O2.4Pt/c1-13-23-25(15-3)33-38(11,12)34-26(16-4)24(14-2)32(42-34)37(9,10)30-22-18-20-28(40-30)35(5,6)27-19-17-21-29(39-27)36(7,8)31(23)41-33;1-13-23-24(14-2)32-36(7,8)28-20-18-22-30(40-28)38(11,12)34-26(16-4)25(15-3)33(42-34)37(9,10)29-21-17-19-27(39-29)35(5,6)31(23)41-32;1-29(2)21-15-22(18-33-17-21)30(3,4)27-13-10-14-28(36-27)32(7,8)24-16-23(19-34-20-24)31(5,6)26-12-9-11-25(29)35-26;1-29(2)21-11-5-9-19(17-21)27(33)24-14-8-16-26(32-24)30(3,4)22-12-6-10-20(18-22)28(34)23-13-7-15-25(29)31-23;;;;/h2*17-22H,13-16H2,1-12H3;9-14,17-20H,1-8H3;5-16H,1-4H3;;;;/q4*-2;4*+2 |
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| InChIKey | UHWWIWQKVOQHDQ-UHFFFAOYSA-N |
|---|
| XLogP | 28.49 |
|---|
| TPSA | 219.44 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 158 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 2825.19 |
| LogP ≤ 5 | 28.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
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 159925190?
The IUPAC name of CID 159925190 (CID 159925190) is not available.
What is the SMILES notation for CID 159925190?
The canonical SMILES for CID 159925190 is CC1(C)c2[c-]c(ccc2)C(=O)c2cccc(n2)C(C)(C)c2[c-]c(ccc2)C(=O)c2cccc1n2.CC1(C)c2[c-]c(cnc2)C(C)(C)c2cccc(n2)C(C)(C)c2[c-]c(cnc2)C(C)(C)c2cccc1n2.CCc1c2[n-]c(c1CC)C(C)(C)c1[n-]c(c(CC)c1CC)C(C)(C)c1cccc(n1)C(C)(C)c1cccc(n1)C2(C)C.CCc1c2[n-]c(c1CC)C(C)(C)c1cccc(n1)C(C)(C)c1[n-]c(c(CC)c1CC)C(C)(C)c1cccc(n1)C2(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 159925190?
The InChIKey is UHWWIWQKVOQHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H50N4.C32H34N4.C30H24N2O2.4Pt/c1-13-23-25(15-3)33-38(11,12)34-26(16-4)24(14-2)32(42-34)37(9,10)30-22-18-20-28(40-30)35(5,6)27-19-17-21-29(39-27)36(7,8)31(23)41-33;1-13-23-24(14-2)32-36(7,8)28-20-18-22-30(40-28)38(11,12)34-26(16-4)25(15-3)33(42-34)37(9,10)29-21-17-19-27(39-29)35(5,6)31(23)41-32;1-29(2)21-15-22(18-33-17-21)30(3,4)27-13-10-14-28(36-27)32(7,8)24-16-23(19-34-20-24)31(5,6)26-12-9-11-25(29)35-26;1-29(2)21-11-5-9-19(17-21)27(33)24-14-8-16-26(32-24)30(3,4)22-12-6-10-20(18-22)28(34)23-13-7-15-25(29)31-23;;;;/h2*17-22H,13-16H2,1-12H3;9-14,17-20H,1-8H3;5-16H,1-4H3;;;;/q4*-2;4*+2.
What are the key properties of CID 159925190?
CID 159925190 has a molecular weight of 2825.19 g/mol, XLogP of 28.49, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159925190 is sourced from PubChem (CID 159925190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).