8-(4-Chlorophenyl)-9h-phenaleno[1,9-fg]indole
Basic information
- CAS
38824-60-1- Standard SMILES
Clc1ccc(-c2cc3cc4ccc5cccc6ccc(c3[nH]2)c4c56)cc1- InChIKey
CWSOUUAUYOZVRO-UHFFFAOYSA-N- Molecular formula
- C24H14ClN
- Average molar mass
- 351.8 g/mol
- Monoisotopic mass
- 351.0814771
Names & identifiers
- Preferred name
- 8-(4-Chlorophenyl)-9h-phenaleno[1,9-fg]indole
- IUPAC
- 4-(4-chlorophenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11(19),12,14,16-nonaene
Names & synonyms
38824-60-18-(4-chlorophenyl)-9h-phenaleno[1,9-fg]indoleDTXSID70959617
Database identifiers
- CAS
38824-60-1- PubChem CID
- 187802
- DTXSID
DTXSID70959617
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 526
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Compound notes
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