About 1,2-dihydroazulene;fulvene
1,2-dihydroazulene;fulvene (PubChem CID 173400201) has the molecular formula C52H52
and a molecular weight of 676.99 g/mol. Its IUPAC name is 1,2-dihydroazulene;fulvene.
Molecular Properties
| Compound Name | 1,2-dihydroazulene;fulvene |
|---|
| PubChem CID | 173400201 |
|---|
| Molecular Formula | C52H52 |
|---|
| Molecular Weight | 676.99 g/mol |
|---|
| Exact Mass | 676.41 |
|---|
| IUPAC Name | 1,2-dihydroazulene;fulvene |
|---|
| SMILES | C1=CC=C2CCC=C2C=C1.C=C1C=CC=C1.C=C1C=CC=C1.C=C1C=CC=C1.C=C1C=CC=C1.C=C1C=CC=C1.C=C1C=CC=C1.C=C1C=CC=C1 |
|---|
| InChI | InChI=1S/C10H10.7C6H6/c1-2-5-9-7-4-8-10(9)6-3-1;7*1-6-4-2-3-5-6/h1-3,5-7H,4,8H2;7*2-5H,1H2 |
|---|
| InChIKey | ZDAZIYKASPNLTL-UHFFFAOYSA-N |
|---|
| XLogP | 14.44 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 52 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 676.99 |
| LogP ≤ 5 | 14.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Analyze 1,2-dihydroazulene;fulvene 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 1,2-dihydroazulene;fulvene?
The IUPAC name of 1,2-dihydroazulene;fulvene (CID 173400201) is 1,2-dihydroazulene;fulvene.
What is the SMILES notation for 1,2-dihydroazulene;fulvene?
The canonical SMILES for 1,2-dihydroazulene;fulvene is C1=CC=C2CCC=C2C=C1.C=C1C=CC=C1.C=C1C=CC=C1.C=C1C=CC=C1.C=C1C=CC=C1.C=C1C=CC=C1.C=C1C=CC=C1.C=C1C=CC=C1.
What is the InChIKey of 1,2-dihydroazulene;fulvene?
The InChIKey is ZDAZIYKASPNLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.7C6H6/c1-2-5-9-7-4-8-10(9)6-3-1;7*1-6-4-2-3-5-6/h1-3,5-7H,4,8H2;7*2-5H,1H2.
What are the key properties of 1,2-dihydroazulene;fulvene?
1,2-dihydroazulene;fulvene has a molecular weight of 676.99 g/mol, XLogP of 14.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroazulene;fulvene is sourced from PubChem (CID 173400201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).