About carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+)
carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+) (PubChem CID 163604783) has the molecular formula C30H29NO3U
and a molecular weight of 689.60 g/mol. Its IUPAC name is carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+).
Molecular Properties
| Compound Name | carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+) |
|---|
| PubChem CID | 163604783 |
|---|
| Molecular Formula | C30H29NO3U |
|---|
| Molecular Weight | 689.60 g/mol |
|---|
| Exact Mass | 689.27 |
|---|
| IUPAC Name | carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+) |
|---|
| SMILES | COc1c[c-]c2cc(CO)c3c(c2c1)OC(c1ccccc1)(c1ccc(N(C)C)cc1)C=C3.[CH3-].[U+2] |
|---|
| InChI | InChI=1S/C29H26NO3.CH3.U/c1-30(2)24-12-10-23(11-13-24)29(22-7-5-4-6-8-22)16-15-26-21(19-31)17-20-9-14-25(32-3)18-27(20)28(26)33-29;;/h4-8,10-18,31H,19H2,1-3H3;1H3;/q2*-1;+2 |
|---|
| InChIKey | NTRGSTCENMFDLD-UHFFFAOYSA-N |
|---|
| XLogP | 6.01 |
|---|
| TPSA | 41.93 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 689.60 |
| LogP ≤ 5 | 6.01 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+) 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 carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+)?
The IUPAC name of carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+) (CID 163604783) is carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+).
What is the SMILES notation for carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+)?
The canonical SMILES for carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+) is COc1c[c-]c2cc(CO)c3c(c2c1)OC(c1ccccc1)(c1ccc(N(C)C)cc1)C=C3.[CH3-].[U+2].
What is the InChIKey of carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+)?
The InChIKey is NTRGSTCENMFDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26NO3.CH3.U/c1-30(2)24-12-10-23(11-13-24)29(22-7-5-4-6-8-22)16-15-26-21(19-31)17-20-9-14-25(32-3)18-27(20)28(26)33-29;;/h4-8,10-18,31H,19H2,1-3H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+)?
carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+) has a molecular weight of 689.60 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+) is sourced from PubChem (CID 163604783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).