About CID 159194705
CID 159194705 (PubChem CID 159194705) has the molecular formula C147H148F6N28Pt4
and a molecular weight of 3201.30 g/mol.
Molecular Properties
| Compound Name | CID 159194705 |
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| PubChem CID | 159194705 |
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| Molecular Formula | C147H148F6N28Pt4 |
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| Molecular Weight | 3201.30 g/mol |
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| Exact Mass | 3199.09 |
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| IUPAC Name | — |
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| SMILES | CC(C)(C)c1cc2nc(c1)C(C)(C)c1cc(C(C)(C)C)cc(n1)-n1[c-]c(c3nccnc31)C(C)(C)C(C)(C)c1[c-]n-2c2nccnc12.CC1(C)c2cccc(n2)-n2[c-]c(c3cccnc32)C(C)(C)C(C)(C)c2[c-]n(c3ncccc23)-c2cccc1n2.CN(C)c1cc2nc(c1)C(C)(C)c1cc(N(C)C)cc(n1)-n1[c-]c(c3ncccc31)C(C)(C)C(C)(C)c1[c-]n-2c2cccnc12.CN(C)c1cc2nc(c1)C(C)(C)c1cc(N(C)C)cc(n1)-n1[c-]c3c(cccc3c1C(F)(F)F)C(C)(C)c1cccc3c(C(F)(F)F)n-2[c-]c13.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
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| InChI | InChI=1S/C39H44N8.C38H34F6N6.C37H40N8.C33H30N6.4Pt/c1-35(2,3)23-17-27-37(7,8)28-18-24(36(4,5)6)20-30(45-28)47-22-26(32-34(47)43-16-14-41-32)39(11,12)38(9,10)25-21-46(29(19-23)44-27)33-31(25)40-13-15-42-33;1-35(2)27-13-9-11-23-25(27)19-49(33(23)37(39,40)41)31-17-21(47(5)6)15-29(45-31)36(3,4)30-16-22(48(7)8)18-32(46-30)50-20-26-24(12-10-14-28(26)35)34(50)38(42,43)44;1-35(2)29-17-23(42(7)8)19-31(40-29)44-21-25(33-27(44)13-11-15-38-33)36(3,4)37(5,6)26-22-45(28-14-12-16-39-34(26)28)32-20-24(43(9)10)18-30(35)41-32;1-31(2)25-13-7-15-27(36-25)38-19-23(21-11-9-17-34-29(21)38)32(3,4)33(5,6)24-20-39(28-16-8-14-26(31)37-28)30-22(24)12-10-18-35-30;;;;/h13-20H,1-12H3;9-18H,1-8H3;11-20H,1-10H3;7-18H,1-6H3;;;;/q4*-2;4*+2 |
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| InChIKey | PVCVYJKEJXULPY-UHFFFAOYSA-N |
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| XLogP | 30.56 |
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| TPSA | 258.64 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 28 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 185 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 3201.30 |
| LogP ≤ 5 | 30.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |
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 159194705?
The IUPAC name of CID 159194705 (CID 159194705) is not available.
What is the SMILES notation for CID 159194705?
The canonical SMILES for CID 159194705 is CC(C)(C)c1cc2nc(c1)C(C)(C)c1cc(C(C)(C)C)cc(n1)-n1[c-]c(c3nccnc31)C(C)(C)C(C)(C)c1[c-]n-2c2nccnc12.CC1(C)c2cccc(n2)-n2[c-]c(c3cccnc32)C(C)(C)C(C)(C)c2[c-]n(c3ncccc23)-c2cccc1n2.CN(C)c1cc2nc(c1)C(C)(C)c1cc(N(C)C)cc(n1)-n1[c-]c(c3ncccc31)C(C)(C)C(C)(C)c1[c-]n-2c2cccnc12.CN(C)c1cc2nc(c1)C(C)(C)c1cc(N(C)C)cc(n1)-n1[c-]c3c(cccc3c1C(F)(F)F)C(C)(C)c1cccc3c(C(F)(F)F)n-2[c-]c13.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 159194705?
The InChIKey is PVCVYJKEJXULPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44N8.C38H34F6N6.C37H40N8.C33H30N6.4Pt/c1-35(2,3)23-17-27-37(7,8)28-18-24(36(4,5)6)20-30(45-28)47-22-26(32-34(47)43-16-14-41-32)39(11,12)38(9,10)25-21-46(29(19-23)44-27)33-31(25)40-13-15-42-33;1-35(2)27-13-9-11-23-25(27)19-49(33(23)37(39,40)41)31-17-21(47(5)6)15-29(45-31)36(3,4)30-16-22(48(7)8)18-32(46-30)50-20-26-24(12-10-14-28(26)35)34(50)38(42,43)44;1-35(2)29-17-23(42(7)8)19-31(40-29)44-21-25(33-27(44)13-11-15-38-33)36(3,4)37(5,6)26-22-45(28-14-12-16-39-34(26)28)32-20-24(43(9)10)18-30(35)41-32;1-31(2)25-13-7-15-27(36-25)38-19-23(21-11-9-17-34-29(21)38)32(3,4)33(5,6)24-20-39(28-16-8-14-26(31)37-28)30-22(24)12-10-18-35-30;;;;/h13-20H,1-12H3;9-18H,1-8H3;11-20H,1-10H3;7-18H,1-6H3;;;;/q4*-2;4*+2.
What are the key properties of CID 159194705?
CID 159194705 has a molecular weight of 3201.30 g/mol, XLogP of 30.56, 4 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159194705 is sourced from PubChem (CID 159194705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).