About CID 158472267
CID 158472267 (PubChem CID 158472267) has the molecular formula C130H116F2N16Pt4Si
and a molecular weight of 2748.86 g/mol.
Molecular Properties
| Compound Name | CID 158472267 |
|---|
| PubChem CID | 158472267 |
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| Molecular Formula | C130H116F2N16Pt4Si |
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| Molecular Weight | 2748.86 g/mol |
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| Exact Mass | 2746.79 |
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| IUPAC Name | — |
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| SMILES | CC1(C)c2[c-]c(ccc2)-n2cc(-c3ccccc3)c(n2)C(C)(C)c2[c-]c(ccc2)-n2cc(-c3ccccc3)c1n2.CC1(C)c2[c-]c(ccc2)-n2cc(-c3ccccc3)c(n2)[Si](c2ccccc2)(c2ccccc2)c2[c-]c(ccc2)-n2ccc1n2.CC1(C)c2[c-]c(ccc2)-n2ccc(n2)C(C)(C)C(C)(C)c2[c-]c(ccc2)-n2ccc(n2)C1(C)C.CC1(C)c2[c-]c(ccc2)-n2ccc(n2)C(F)(F)c2[c-]c(ccc2)-n2ccc(n2)C1(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
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| InChI | InChI=1S/C39H30N4Si.C36H30N4.C30H34N4.C25H22F2N4.4Pt/c1-39(2)30-16-12-17-31(26-30)43-28-36(29-14-6-3-7-15-29)38(41-43)44(33-19-8-4-9-20-33,34-21-10-5-11-22-34)35-23-13-18-32(27-35)42-25-24-37(39)40-42;1-35(2)27-17-11-19-29(21-27)40-24-32(26-15-9-6-10-16-26)34(38-40)36(3,4)28-18-12-20-30(22-28)39-23-31(33(35)37-39)25-13-7-5-8-14-25;1-27(2)21-11-9-13-23(19-21)33-18-16-26(32-33)30(7,8)28(3,4)22-12-10-14-24(20-22)34-17-15-25(31-34)29(27,5)6;1-23(2)17-7-5-9-19(15-17)31-14-12-22(29-31)25(26,27)18-8-6-10-20(16-18)30-13-11-21(28-30)24(23,3)4;;;;/h3-25,28H,1-2H3;5-20,23-24H,1-4H3;9-18H,1-8H3;5-14H,1-4H3;;;;/q4*-2;4*+2 |
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| InChIKey | KEYJPPNIEYJGJK-UHFFFAOYSA-N |
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| XLogP | 25.14 |
|---|
| TPSA | 142.56 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 16 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 153 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 2748.86 |
| LogP ≤ 5 | 25.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 158472267?
The IUPAC name of CID 158472267 (CID 158472267) is not available.
What is the SMILES notation for CID 158472267?
The canonical SMILES for CID 158472267 is CC1(C)c2[c-]c(ccc2)-n2cc(-c3ccccc3)c(n2)C(C)(C)c2[c-]c(ccc2)-n2cc(-c3ccccc3)c1n2.CC1(C)c2[c-]c(ccc2)-n2cc(-c3ccccc3)c(n2)[Si](c2ccccc2)(c2ccccc2)c2[c-]c(ccc2)-n2ccc1n2.CC1(C)c2[c-]c(ccc2)-n2ccc(n2)C(C)(C)C(C)(C)c2[c-]c(ccc2)-n2ccc(n2)C1(C)C.CC1(C)c2[c-]c(ccc2)-n2ccc(n2)C(F)(F)c2[c-]c(ccc2)-n2ccc(n2)C1(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 158472267?
The InChIKey is KEYJPPNIEYJGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N4Si.C36H30N4.C30H34N4.C25H22F2N4.4Pt/c1-39(2)30-16-12-17-31(26-30)43-28-36(29-14-6-3-7-15-29)38(41-43)44(33-19-8-4-9-20-33,34-21-10-5-11-22-34)35-23-13-18-32(27-35)42-25-24-37(39)40-42;1-35(2)27-17-11-19-29(21-27)40-24-32(26-15-9-6-10-16-26)34(38-40)36(3,4)28-18-12-20-30(22-28)39-23-31(33(35)37-39)25-13-7-5-8-14-25;1-27(2)21-11-9-13-23(19-21)33-18-16-26(32-33)30(7,8)28(3,4)22-12-10-14-24(20-22)34-17-15-25(31-34)29(27,5)6;1-23(2)17-7-5-9-19(15-17)31-14-12-22(29-31)25(26,27)18-8-6-10-20(16-18)30-13-11-21(28-30)24(23,3)4;;;;/h3-25,28H,1-2H3;5-20,23-24H,1-4H3;9-18H,1-8H3;5-14H,1-4H3;;;;/q4*-2;4*+2.
What are the key properties of CID 158472267?
CID 158472267 has a molecular weight of 2748.86 g/mol, XLogP of 25.14, 5 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158472267 is sourced from PubChem (CID 158472267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).