Cas no 56366-15-5 (1H-Indole, 5-methyl-3-phenyl-)
1H-Indole, 5-methyl-3-phenyl- structure
Product Name:1H-Indole, 5-methyl-3-phenyl-
CAS No:56366-15-5
MF:C15H13N
MW:207.270423650742
CID:1598499
PubChem ID:20337765
Update Time:2025-04-21
1H-Indole, 5-methyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 5-methyl-3-phenyl-
- 5-Methyl-3-phenyl-1H-indole
- SCHEMBL12135116
- DB-155513
- 56366-15-5
-
- Inchi： 1S/C15H13N/c1-11-7-8-15-13(9-11)14(10-16-15)12-5-3-2-4-6-12/h2-10,16H,1H3
- InChI Key： PSZVPQAXAWZJKN-UHFFFAOYSA-N
- SMILES： N1C=C(C2C=CC=CC=2)C2C=C(C)C=CC1=2
Computed Properties
- Exact Mass: 207.10489
- Monoisotopic Mass: 207.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 232
- 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: 15.8A^2
- XLogP3: 4
Experimental Properties
- PSA: 15.79
1H-Indole, 5-methyl-3-phenyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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