Basic information
- CAS
838-40-4- Standard SMILES
c1ccc(-c2ccc(-c3ccccc3)[nH]2)cc1- InChIKey
RJCRXUOYULQDPG-UHFFFAOYSA-N- Molecular formula
- C16H13N
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.10479942
Names & identifiers
- Preferred name
- 2,5-Diphenyl-1H-pyrrole
- IUPAC
- 2,5-diphenyl-1H-pyrrole
- English name
- 2,5-Diphenyl-1H-pyrrole
- Molecular formula
- C16H13N
- Molecular weight
- 219.28
Names & synonyms
2,5-Diphenyl-1H-pyrrole838-40-4DTXSID70288499RefChem:1060129DTXCID502396462,5-diphenylpyrrole1H-Pyrrole, 2,5-diphenyl-1H-Pyrrole,2,5-diphenyl-MFCD00767151MLS002667802NSC561852,5-diphenyl-1H-pyrrol
Show more names
SCHEMBL8406212,5-Diphenyl-1H-pyrrole #SCHEMBL1536003SCHEMBL5252154CHEMBL1707114SCHEMBL29023803RJCRXUOYULQDPG-UHFFFAOYSA-HMS3079H14
Database identifiers
- CAS
838-40-4- PubChem CID
- 244877
- DTXSID
DTXSID70288499- ChEMBL
CHEMBL1707114- Nikkaji
- J352.632A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 143 °C · 143 °C
- Boiling point
- 415.1 · 415.1±14.0 °C(Predicted)
- Density
- 1.105 · 1.105±0.06 g/cm3(Predicted)
- pka
- 16.91 · 16.91±0.50(Predicted)
Chemistry & industry
Suppliers7 total
郑州汇聚化工有限公司13393710386 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
重庆速研医药科技有限公司13308363593 13308363593 · [email protected]
吉林中科研伸科技有限公司043180534350 19917294565 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
1 records
Compound notes
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