ST50216377
Basic information
- CAS
7086-13-7- Standard SMILES
c1ccc(C2=NC(c3ccccc3)N=C(c3ccccc3)N2)cc1- InChIKey
WOHXJBFEBYJSFZ-UHFFFAOYSA-N- Molecular formula
- C21H17N3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.14224756
Names & identifiers
- Preferred name
- ST50216377
- IUPAC
- 2,4,6-triphenyl-1,4-dihydro-1,3,5-triazine
Names & synonyms
7086-13-7ST50216377DTXSID00324334RefChem:381588DTXCID802754512,4,6-triphenyl-1,2-dihydro-1,3,5-triazine2,4,6-triphenyl-1,4-dihydro-1,3,5-triazineNSC4064452,4,6-Triphenyl-1,2-dihydro-[1,3,5]triazineCBDivE_006075MLS000526620CHEMBL1413725
Show more names
SCHEMBL14406712SCHEMBL17297479SCHEMBL17746900HMS2180C17AKOS000567110AKOS016402731NSC-406445SMR000117094
Database identifiers
- CAS
7086-13-7- PubChem CID
- 347657
- DTXSID
DTXSID00324334- ChEMBL
CHEMBL1413725- Nikkaji
- J3.107.906C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 429
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Related reactions
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Compound notes
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