About CID 157451300
CID 157451300 (PubChem CID 157451300) has the molecular formula C148H132N18O2Pt5S2
and a molecular weight of 3234.33 g/mol.
Molecular Properties
| Compound Name | CID 157451300 |
|---|
| PubChem CID | 157451300 |
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| Molecular Formula | C148H132N18O2Pt5S2 |
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| Molecular Weight | 3234.33 g/mol |
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| Exact Mass | 3231.85 |
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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(co2)-c2coc1n2.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2nc(cs2)-c2csc1n2.CC1(C)c2[c-]c(ccn2)-c2[c-]c(ncc2)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].[Pt+2] |
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| InChI | InChI=1S/C38H34N4.C34H28N6.C28H30N4.C24H20N2O2.C24H20N2S2.5Pt/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)29-19-23(15-17-35-29)24-16-18-36-30(20-24)34(3,4)32-38-28(22-40(32)26-13-9-6-10-14-26)27-21-39(31(33)37-27)25-11-7-5-8-12-25;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;2*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;5-18,21-22H,1-4H3;9-12,15-16H,1-8H3;2*5-10,13-14H,1-4H3;;;;;/q5*-2;5*+2 |
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| InChIKey | ULJKODNPCUEROW-UHFFFAOYSA-N |
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| XLogP | 33.23 |
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| TPSA | 225.40 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 22 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 175 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 3234.33 |
| LogP ≤ 5 | 33.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
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 157451300?
The IUPAC name of CID 157451300 (CID 157451300) is not available.
What is the SMILES notation for CID 157451300?
The canonical SMILES for CID 157451300 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(co2)-c2coc1n2.CC1(C)c2[c-]c(ccc2)-c2[c-]c(ccc2)C(C)(C)c2nc(cs2)-c2csc1n2.CC1(C)c2[c-]c(ccn2)-c2[c-]c(ncc2)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].[Pt+2].
What is the InChIKey of CID 157451300?
The InChIKey is ULJKODNPCUEROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4.C34H28N6.C28H30N4.C24H20N2O2.C24H20N2S2.5Pt/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)29-19-23(15-17-35-29)24-16-18-36-30(20-24)34(3,4)32-38-28(22-40(32)26-13-9-6-10-14-26)27-21-39(31(33)37-27)25-11-7-5-8-12-25;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;2*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;5-18,21-22H,1-4H3;9-12,15-16H,1-8H3;2*5-10,13-14H,1-4H3;;;;;/q5*-2;5*+2.
What are the key properties of CID 157451300?
CID 157451300 has a molecular weight of 3234.33 g/mol, XLogP of 33.23, 4 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157451300 is sourced from PubChem (CID 157451300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).