Cas no 110698-97-0 (1H-Pyrrole-3-carboxaldehyde, 2,5-diphenyl-)
110698-97-0 structure
Product Name:1H-Pyrrole-3-carboxaldehyde, 2,5-diphenyl-
CAS No:110698-97-0
MF:C17H13NO
MW:247.291224241257
CID:1194885
PubChem ID:619021
Update Time:2025-04-20
1H-Pyrrole-3-carboxaldehyde, 2,5-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carboxaldehyde, 2,5-diphenyl-
- 2,5-diphenyl-1H-pyrrole-3-carbaldehyde
- STK279980
- CHEMBL1447325
- AKOS005426654
- MLS001001269
- Pyrrole-3-carboxaldehyde, 2,5-diphenyl-
- 2,5-Diphenyl-1H-pyrrole-3-carbaldehyde #
- 110698-97-0
- AJ-292/09143001
- HMS2818I15
- IWYHVTRFSJPFOF-UHFFFAOYSA-N
- 2,5-diphenyl-3-formylpyrrole
- DTXSID60347206
- starbld0043113
- SCHEMBL15572536
- SMR000496910
-
- Inchi： 1S/C17H13NO/c19-12-15-11-16(13-7-3-1-4-8-13)18-17(15)14-9-5-2-6-10-14/h1-12,18H
- InChI Key： IWYHVTRFSJPFOF-UHFFFAOYSA-N
- SMILES： O=CC1C=C(C2C=CC=CC=2)NC=1C1C=CC=CC=1
Computed Properties
- Exact Mass: 247.09979
- Monoisotopic Mass: 247.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 292
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 32.9?2
Experimental Properties
- PSA: 32.86
1H-Pyrrole-3-carboxaldehyde, 2,5-diphenyl- Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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