3-(3,6-diiodo-9H-carbazol-9-yl)-N'-[(E)-naphthalen-1-ylmethylidene]propanehydrazide
Basic information
- CAS
518019-81-3- Standard SMILES
O=C(CCn1c2ccc(I)cc2c2cc(I)ccc21)N/N=C/c1cccc2ccccc12- InChIKey
OTDYOFKFYNAJOF-MUFRIFMGSA-N- Molecular formula
- C26H19I2N3O
- Average molar mass
- 643.3 g/mol
- Monoisotopic mass
- 642.96176
Names & identifiers
- Preferred name
- 3-(3,6-diiodo-9H-carbazol-9-yl)-N'-[(E)-naphthalen-1-ylmethylidene]propanehydrazide
- IUPAC
- 3-(3,6-diiodocarbazol-9-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]propanamide
- English name
- 3-(3,6-diiodo-9H-carbazol-9-yl)-N'-[(E)-naphthalen-1-ylmethylidene]propanehydrazide
- Molecular formula
- C26H19I2N3O
- Molecular weight
- 643.26
Names & synonyms
MFCD03087775STK104304AKOS003828972ZINC150613462ZINC000004528030O=C(CCn1c2ccc(cc2c2c1ccc(c2)I)I)NN=Cc1cccc2c1cccc2(E)3(36diiodo9Hcarbazol9yl)N(naphthalen1ylmethylene)propanehydrazide3(36diiodocarbazol9yl)N((E)naphthalen1ylmethylideneamino)propanamide(E)-3-(3,6-diiodo-9H-carbazol-9-yl)-N'-(naphthalen-1-ylmethylene)propanehydrazide3(36DIIODO9HCARBAZOL9YL)N((E)NAPHTHALEN1YLMETHYLIDENE)PROPANEHYDRAZIDE3-(3,6-DIIODO-9H-CARBAZOL-9-YL)-N'-(1-NAPHTHYLMETHYLENE)PROPANOHYDRAZIDE3-(3,6-diiodo-9H-carbazol-9-yl)-N'-[(E)-naphthalen-1-ylmethylidene]propanehydrazide
Show more names
9H-Carbazole-9-propanoic acid, 3,6-diiodo-, 2-(1-naphthalenylmethylene)hydrazide
C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)CCN3C4=C(C=C(C=C4)I)C5=C3C=CC(=C5)I
Database identifiers
- CAS
518019-81-3- PubChem CID
- 9607530
- EC Number
- 120-496-3
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 662
Physicochemical properties
- Density
- 1.78 · 1.78±0.1 g/cm3(Predicted)
- pka
- 13.25 · 13.25±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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