Basic information
- CAS
2683-78-5- Standard SMILES
c1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)CC5)[nH]4)CC3- InChIKey
BHPNXACHQYJJJS-UHFFFAOYSA-N- Molecular formula
- C20H18N4
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.15314658
Overview
Bacteriochlorin is a tetrapyrrole fundamental parent that consists of two pyrrole and two reduced pyrrole units connected by methine linkages, where the two reduced pyrroles are located diagonally opposite one another. It is a tetrapyrrole fundamental parent and a member of bacteriochlorins.
Names & identifiers
- Preferred name
- Bacteriochlorin
- IUPAC
- 2,3,12,13,22,24-hexahydroporphyrin
Names & synonyms
bacteriochlorin2,3,12,13-tetrahydroporphyrin7,8,17,18-tetrahydroporphyrin2,3,12,13,22,24-hexahydroporphyrin2683-78-5BakteriochlorinSCHEMBL26001SCHEMBL29393605CHEBI:36304BHPNXACHQYJJJS-UHFFFAOYSA-NDTXSID201317107Q27116782
Database identifiers
- CAS
2683-78-5- PubChem CID
- 9548778
- DTXSID
DTXSID201317107- ChEBI
CHEBI:36304- Nikkaji
- J386.002G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 365
Related reactions
2 records
Compound notes
Loading…