Cas no 53924-09-7 (1H-Indole-2-carboxylicacid, 3-(diphenylmethyl)-)
53924-09-7 structure
Product Name:1H-Indole-2-carboxylicacid, 3-(diphenylmethyl)-
CAS No:53924-09-7
MF:C22H17NO2
MW:327.375885725021
CID:376924
PubChem ID:40928
Update Time:2025-04-19
1H-Indole-2-carboxylicacid, 3-(diphenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxylicacid, 3-(diphenylmethyl)-
- 3-benzhydryl-1H-indole-2-carboxylic acid
- 53924-09-7
- BRN 0431232
- 1H-INDOLE-2-CARBOXYLIC ACID, 3-(DIPHENYLMETHYL)-
- 5-22-03-00547 (Beilstein Handbook Reference)
- DTXSID00202209
- SCHEMBL8476323
- 3-(Diphenylmethyl)-1H-indole-2-carboxylic acid
-
- Inchi： 1S/C22H17NO2/c24-22(25)21-20(17-13-7-8-14-18(17)23-21)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19,23H,(H,24,25)
- InChI Key： RCRHDXWBWNDQLB-UHFFFAOYSA-N
- SMILES： OC(C1=C(C2C=CC=CC=2N1)C(C1C=CC=CC=1)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 327.12601
- Monoisotopic Mass: 327.125929
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 435
- 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
- Topological Polar Surface Area: 53.1
- XLogP3: 5.3
Experimental Properties
- Density: 1.27
- Boiling Point: 550.1°Cat760mmHg
- Flash Point: 286.5°C
- Refractive Index: 1.696
- PSA: 53.09
1H-Indole-2-carboxylicacid, 3-(diphenylmethyl)- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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