2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole

C21H19N — CID 4592360

IUPAC2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole
SMILESCc1ccccc1C1Cc2cc(-c3ccccc3)ccc2N1
InChIInChI=1S/C21H19N/c1-15-7-5-6-10-19(15)21-14-18-13-17(11-12-20(18)22-21)16-8-3-2-4-9-16/h2-13,21-22H,14H2,1H3
InChIKeyITHZIAXDCYFQMK-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.37
Rot. Bonds2

About 2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole

2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole (PubChem CID 4592360) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole
PubChem CID4592360
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole
SMILESCc1ccccc1C1Cc2cc(-c3ccccc3)ccc2N1
InChIInChI=1S/C21H19N/c1-15-7-5-6-10-19(15)21-14-18-13-17(11-12-20(18)22-21)16-8-3-2-4-9-16/h2-13,21-22H,14H2,1H3
InChIKeyITHZIAXDCYFQMK-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole (CID 4592360) is 2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole is Cc1ccccc1C1Cc2cc(-c3ccccc3)ccc2N1.
What is the InChIKey of 2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole?
The InChIKey is ITHZIAXDCYFQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-15-7-5-6-10-19(15)21-14-18-13-17(11-12-20(18)22-21)16-8-3-2-4-9-16/h2-13,21-22H,14H2,1H3.
What are the key properties of 2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole?
2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole has a molecular weight of 285.39 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 4592360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).