About CID 162039383
CID 162039383 (PubChem CID 162039383) has the molecular formula C124H112N16Pt4S2
and a molecular weight of 2670.82 g/mol.
Molecular Properties
| Compound Name | CID 162039383 |
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| PubChem CID | 162039383 |
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| Molecular Formula | C124H112N16Pt4S2 |
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| Molecular Weight | 2670.82 g/mol |
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| Exact Mass | 2668.73 |
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| IUPAC Name | — |
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| SMILES | CC1(C)C=C2N=C1C(C)(C)c1[c-]c(ccn1)-c1[c-]c(ncc1)C(C)(C)C1=NC2=CC1(C)C.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2nc(cs2)-c2csc1n2.CC1(C)c2[c-]c(cnc2)-c2[c-]c(cnc2)C(C)(C)c2nc(cn2-c2ccccc2)-c2cn(-c3ccccc3)c1n2.Cn1c2nc(c1-c1ccccc1)-c1nc(n(C)c1-c1ccccc1)C(C)(C)c1[c-]c(ccc1)-c1[c-]c(ccc1)C2(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
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| InChI | InChI=1S/C38H34N4.C34H28N6.C28H30N4.C24H20N2S2.4Pt/c1-37(2)29-21-13-19-27(23-29)28-20-14-22-30(24-28)38(3,4)36-40-32(34(42(36)6)26-17-11-8-12-18-26)31-33(41(5)35(37)39-31)25-15-9-7-10-16-25;1-33(2)25-15-23(17-35-19-25)24-16-26(20-36-18-24)34(3,4)32-38-30(22-40(32)28-13-9-6-10-14-28)29-21-39(31(33)37-29)27-11-7-5-8-12-27;1-25(2)15-19-20-16-26(3,4)24(32-20)28(7,8)22-14-18(10-12-30-22)17-9-11-29-21(13-17)27(5,6)23(25)31-19;1-23(2)17-9-5-7-15(11-17)16-8-6-10-18(12-16)24(3,4)22-26-20(14-28-22)19-13-27-21(23)25-19;;;;/h7-22H,1-6H3;5-14,17-22H,1-4H3;9-12,15-16H,1-8H3;5-10,13-14H,1-4H3;;;;/q4*-2;4*+2 |
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| InChIKey | SKPGDUZMTGHBTJ-UHFFFAOYSA-N |
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| XLogP | 27.67 |
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| TPSA | 173.34 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 | 146 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 2670.82 |
| LogP ≤ 5 | 27.67 |
| 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 162039383?
The IUPAC name of CID 162039383 (CID 162039383) is not available.
What is the SMILES notation for CID 162039383?
The canonical SMILES for CID 162039383 is CC1(C)C=C2N=C1C(C)(C)c1[c-]c(ccn1)-c1[c-]c(ncc1)C(C)(C)C1=NC2=CC1(C)C.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2nc(cs2)-c2csc1n2.CC1(C)c2[c-]c(cnc2)-c2[c-]c(cnc2)C(C)(C)c2nc(cn2-c2ccccc2)-c2cn(-c3ccccc3)c1n2.Cn1c2nc(c1-c1ccccc1)-c1nc(n(C)c1-c1ccccc1)C(C)(C)c1[c-]c(ccc1)-c1[c-]c(ccc1)C2(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 162039383?
The InChIKey is SKPGDUZMTGHBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4.C34H28N6.C28H30N4.C24H20N2S2.4Pt/c1-37(2)29-21-13-19-27(23-29)28-20-14-22-30(24-28)38(3,4)36-40-32(34(42(36)6)26-17-11-8-12-18-26)31-33(41(5)35(37)39-31)25-15-9-7-10-16-25;1-33(2)25-15-23(17-35-19-25)24-16-26(20-36-18-24)34(3,4)32-38-30(22-40(32)28-13-9-6-10-14-28)29-21-39(31(33)37-29)27-11-7-5-8-12-27;1-25(2)15-19-20-16-26(3,4)24(32-20)28(7,8)22-14-18(10-12-30-22)17-9-11-29-21(13-17)27(5,6)23(25)31-19;1-23(2)17-9-5-7-15(11-17)16-8-6-10-18(12-16)24(3,4)22-26-20(14-28-22)19-13-27-21(23)25-19;;;;/h7-22H,1-6H3;5-14,17-22H,1-4H3;9-12,15-16H,1-8H3;5-10,13-14H,1-4H3;;;;/q4*-2;4*+2.
What are the key properties of CID 162039383?
CID 162039383 has a molecular weight of 2670.82 g/mol, XLogP of 27.67, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162039383 is sourced from PubChem (CID 162039383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).