About CID 157183534
CID 157183534 (PubChem CID 157183534) has the molecular formula C116H102N18Pt4S2
and a molecular weight of 2592.66 g/mol.
Molecular Properties
| Compound Name | CID 157183534 |
|---|
| PubChem CID | 157183534 |
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| Molecular Formula | C116H102N18Pt4S2 |
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| Molecular Weight | 2592.66 g/mol |
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| Exact Mass | 2590.66 |
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| IUPAC Name | — |
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| SMILES | CC1(C)C=C2N=C1C1=NC(=CC1(C)C)C(C)(C)c1[c-]c(ccc1)-c1[c-]c(ccc1)C2(C)C.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2csc(n2)-c2nc1cs2.CC1(C)c2cn(-c3ccccc3)c(n2)-c2nc(cn2-c2ccccc2)C(C)(C)c2cnc([n-]2)-c2ncc1[n-]2.CN1c2[c-]c(ccc2)-c2[c-]c(ccc2)N(C)c2cn(-c3ccccc3)c(n2)-c2nc1cn2-c1ccccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
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| InChI | InChI=1S/C32H24N6.C30H26N8.C30H32N2.C24H20N2S2.4Pt/c1-35-27-17-9-11-23(19-27)24-12-10-18-28(20-24)36(2)30-22-38(26-15-7-4-8-16-26)32(34-30)31-33-29(35)21-37(31)25-13-5-3-6-14-25;1-29(2)21-15-31-25(33-21)26-32-16-22(34-26)30(3,4)24-18-38(20-13-9-6-10-14-20)28(36-24)27-35-23(29)17-37(27)19-11-7-5-8-12-19;1-27(2)17-23-29(5,6)21-13-9-11-19(15-21)20-12-10-14-22(16-20)30(7,8)24-18-28(3,4)26(32-24)25(27)31-23;1-23(2)17-9-5-7-15(11-17)16-8-6-10-18(12-16)24(3,4)20-14-28-22(26-20)21-25-19(23)13-27-21;;;;/h3-18,21-22H,1-2H3;5-18H,1-4H3;9-14,17-18H,1-8H3;5-10,13-14H,1-4H3;;;;/q4*-2;4*+2 |
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| InChIKey | PERUMMMPMKQVGR-UHFFFAOYSA-N |
|---|
| XLogP | 25.64 |
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| TPSA | 182.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 18 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 140 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 2592.66 |
| LogP ≤ 5 | 25.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
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 157183534?
The IUPAC name of CID 157183534 (CID 157183534) is not available.
What is the SMILES notation for CID 157183534?
The canonical SMILES for CID 157183534 is CC1(C)C=C2N=C1C1=NC(=CC1(C)C)C(C)(C)c1[c-]c(ccc1)-c1[c-]c(ccc1)C2(C)C.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2csc(n2)-c2nc1cs2.CC1(C)c2cn(-c3ccccc3)c(n2)-c2nc(cn2-c2ccccc2)C(C)(C)c2cnc([n-]2)-c2ncc1[n-]2.CN1c2[c-]c(ccc2)-c2[c-]c(ccc2)N(C)c2cn(-c3ccccc3)c(n2)-c2nc1cn2-c1ccccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 157183534?
The InChIKey is PERUMMMPMKQVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N6.C30H26N8.C30H32N2.C24H20N2S2.4Pt/c1-35-27-17-9-11-23(19-27)24-12-10-18-28(20-24)36(2)30-22-38(26-15-7-4-8-16-26)32(34-30)31-33-29(35)21-37(31)25-13-5-3-6-14-25;1-29(2)21-15-31-25(33-21)26-32-16-22(34-26)30(3,4)24-18-38(20-13-9-6-10-14-20)28(36-24)27-35-23(29)17-37(27)19-11-7-5-8-12-19;1-27(2)17-23-29(5,6)21-13-9-11-19(15-21)20-12-10-14-22(16-20)30(7,8)24-18-28(3,4)26(32-24)25(27)31-23;1-23(2)17-9-5-7-15(11-17)16-8-6-10-18(12-16)24(3,4)20-14-28-22(26-20)21-25-19(23)13-27-21;;;;/h3-18,21-22H,1-2H3;5-18H,1-4H3;9-14,17-18H,1-8H3;5-10,13-14H,1-4H3;;;;/q4*-2;4*+2.
What are the key properties of CID 157183534?
CID 157183534 has a molecular weight of 2592.66 g/mol, XLogP of 25.64, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157183534 is sourced from PubChem (CID 157183534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).