About CID 159032928
CID 159032928 (PubChem CID 159032928) has the molecular formula C103H134N28W4
and a molecular weight of 2499.76 g/mol.
Molecular Properties
| Compound Name | CID 159032928 |
|---|
| PubChem CID | 159032928 |
|---|
| Molecular Formula | C103H134N28W4 |
|---|
| Molecular Weight | 2499.76 g/mol |
|---|
| Exact Mass | 2498.94 |
|---|
| IUPAC Name | — |
|---|
| SMILES | CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nnc2ccccn12.Cc1nnc2n1C=CC2.[H]/[C-]=C/c1ccc[n-]1.[H]/[C-]=C/n1[c-]ccc1.[H]/[C-]=C/n1[c-]ccn1.[H]/[C-]=C/n1[c-]nnc1C.[W+2].[W+2].[W+2].[W+2].c1cc2cnccn2c1.c1ccn2cccc2c1.c1ccn2nccc2c1.c1cnc2cccn2c1.c1cnc2ccnn2c1.c1cnn2cccc2c1.c1cnn2cncc2c1 |
|---|
| InChI | InChI=1S/C8H7N.C7H7N3.4C7H6N2.C6H7N3.2C6H5N3.2C6H5N.C5H5N3.C5H4N2.10C2H6.4W/c1-2-6-9-7-3-5-8(9)4-1;1-6-8-9-7-4-2-3-5-10(6)7;1-3-7-8-4-2-6-9(7)5-1;1-3-7-4-2-6-9(7)8-5-1;1-2-7-6-8-3-5-9(7)4-1;1-2-6-9-7(3-1)4-5-8-9;1-5-7-8-6-3-2-4-9(5)6;1-3-7-6-2-4-8-9(6)5-1;1-2-6-4-7-5-9(6)8-3-1;1-2-7-5-3-4-6-7;1-2-6-4-3-5-7-6;1-3-8-4-6-7-5(8)2;1-2-7-5-3-4-6-7;10*1-2;;;;/h1-7H;2-5H,1H3;4*1-6H;2,4H,3H2,1H3;2*1-5H;2*1-5H;1,3H,2H3;1-4H;10*1-2H3;;;;/q;;;;;;;;;4*-2;;;;;;;;;;;4*+2 |
|---|
| InChIKey | BZFVEEOUTNIVNY-UHFFFAOYSA-N |
|---|
| XLogP | 23.80 |
|---|
| TPSA | 262.45 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 27 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 135 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 2499.76 |
| LogP ≤ 5 | 23.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze CID 159032928 with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of CID 159032928?
The IUPAC name of CID 159032928 (CID 159032928) is not available.
What is the SMILES notation for CID 159032928?
The canonical SMILES for CID 159032928 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nnc2ccccn12.Cc1nnc2n1C=CC2.[H]/[C-]=C/c1ccc[n-]1.[H]/[C-]=C/n1[c-]ccc1.[H]/[C-]=C/n1[c-]ccn1.[H]/[C-]=C/n1[c-]nnc1C.[W+2].[W+2].[W+2].[W+2].c1cc2cnccn2c1.c1ccn2cccc2c1.c1ccn2nccc2c1.c1cnc2cccn2c1.c1cnc2ccnn2c1.c1cnn2cccc2c1.c1cnn2cncc2c1.
What is the InChIKey of CID 159032928?
The InChIKey is BZFVEEOUTNIVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C7H7N3.4C7H6N2.C6H7N3.2C6H5N3.2C6H5N.C5H5N3.C5H4N2.10C2H6.4W/c1-2-6-9-7-3-5-8(9)4-1;1-6-8-9-7-4-2-3-5-10(6)7;1-3-7-8-4-2-6-9(7)5-1;1-3-7-4-2-6-9(7)8-5-1;1-2-7-6-8-3-5-9(7)4-1;1-2-6-9-7(3-1)4-5-8-9;1-5-7-8-6-3-2-4-9(5)6;1-3-7-6-2-4-8-9(6)5-1;1-2-6-4-7-5-9(6)8-3-1;1-2-7-5-3-4-6-7;1-2-6-4-3-5-7-6;1-3-8-4-6-7-5(8)2;1-2-7-5-3-4-6-7;10*1-2;;;;/h1-7H;2-5H,1H3;4*1-6H;2,4H,3H2,1H3;2*1-5H;2*1-5H;1,3H,2H3;1-4H;10*1-2H3;;;;/q;;;;;;;;;4*-2;;;;;;;;;;;4*+2.
What are the key properties of CID 159032928?
CID 159032928 has a molecular weight of 2499.76 g/mol, XLogP of 23.80, 4 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159032928 is sourced from PubChem (CID 159032928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).