Cas no 62039-74-1 (1H-Indole-2,7-dicarbonitrile, 3-phenyl-)
62039-74-1 structure
Product Name:1H-Indole-2,7-dicarbonitrile, 3-phenyl-
CAS No:62039-74-1
MF:C16H9N3
MW:243.262762784958
CID:459935
PubChem ID:20374416
Update Time:2025-04-19
1H-Indole-2,7-dicarbonitrile, 3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2,7-dicarbonitrile, 3-phenyl-
- 3-phenyl-1H-indole-2,7-dicarbonitrile
- 62039-74-1
- SCHEMBL11626705
- DTXSID90606333
-
- Inchi： 1S/C16H9N3/c17-9-12-7-4-8-13-15(11-5-2-1-3-6-11)14(10-18)19-16(12)13/h1-8,19H
- InChI Key： BHGKAANEFUOTNY-UHFFFAOYSA-N
- SMILES： N1C(C#N)=C(C2C=CC=CC=2)C2C=CC=C(C#N)C1=2
Computed Properties
- Exact Mass: 243.07977
- Monoisotopic Mass: 243.079647300g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 420
- 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: 3.4
- Topological Polar Surface Area: 63.4?2
Experimental Properties
- PSA: 63.37
1H-Indole-2,7-dicarbonitrile, 3-phenyl- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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