About CID 158215791
CID 158215791 (PubChem CID 158215791) has the molecular formula C199H339N37O5S5Y24-24
and a molecular weight of 5624.23 g/mol.
Molecular Properties
| Compound Name | CID 158215791 |
|---|
| PubChem CID | 158215791 |
|---|
| Molecular Formula | C199H339N37O5S5Y24-24 |
|---|
| Molecular Weight | 5624.23 g/mol |
|---|
| Exact Mass | 5621.35 |
|---|
| IUPAC Name | — |
|---|
| SMILES | CC(C)c1[c-]n(C)nn1.CC(C)c1[c-]nn(C)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnn(C)n1.CC(C)c1nnnn1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y] |
|---|
| InChI | InChI=1S/C9H12.2C8H13N.3C8H11N.4C7H12N2.2C7H10N2.2C7H10O.2C7H10S.2C6H10N3.3C6H9NO.3C6H9NS.2C5H10N4.22CH3.24Y/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-4-9(3)8-7-6;1-5(2)6-4-7-9(3)8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-7-8-9(5)3;1-4(2)5-6-8-9(3)7-5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-8H,1-2H3;2*4-7H,1-3H3;3*3-7H,1-2H3;4*4-6H,1-3H3;2*3-6H,1-2H3;4*3-6H,1-2H3;2*5H,1-3H3;6*3-5H,1-2H3;2*4H,1-3H3;22*1H3;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;2*-1;;;;;;;;;22*-1;;;;;;;;;;;;;;;;;;;;;;;; |
|---|
| InChIKey | LODXLXHLAUVESD-UHFFFAOYSA-N |
|---|
| XLogP | 57.83 |
|---|
| TPSA | 463.03 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 47 |
|---|
| Rotatable Bonds | 26 |
|---|
| Heavy Atoms | 270 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 5624.23 |
| LogP ≤ 5 | 57.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 47 |
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Frequently Asked Questions
What is the IUPAC name of CID 158215791?
The IUPAC name of CID 158215791 (CID 158215791) is not available.
What is the SMILES notation for CID 158215791?
The canonical SMILES for CID 158215791 is CC(C)c1[c-]n(C)nn1.CC(C)c1[c-]nn(C)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnn(C)n1.CC(C)c1nnnn1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of CID 158215791?
The InChIKey is LODXLXHLAUVESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C8H13N.3C8H11N.4C7H12N2.2C7H10N2.2C7H10O.2C7H10S.2C6H10N3.3C6H9NO.3C6H9NS.2C5H10N4.22CH3.24Y/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-4-9(3)8-7-6;1-5(2)6-4-7-9(3)8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-7-8-9(5)3;1-4(2)5-6-8-9(3)7-5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-8H,1-2H3;2*4-7H,1-3H3;3*3-7H,1-2H3;4*4-6H,1-3H3;2*3-6H,1-2H3;4*3-6H,1-2H3;2*5H,1-3H3;6*3-5H,1-2H3;2*4H,1-3H3;22*1H3;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;2*-1;;;;;;;;;22*-1;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of CID 158215791?
CID 158215791 has a molecular weight of 5624.23 g/mol, XLogP of 57.83, 26 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158215791 is sourced from PubChem (CID 158215791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).