2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole

C21H19N — CID 20685477

IUPAC2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19N/c1-16-15-19-9-5-6-10-21(19)22(16)20-13-11-18(12-14-20)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3
InChIKeyJFRBALOCTBYWMC-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.44
Rot. Bonds2

About 2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole

2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole (PubChem CID 20685477) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
PubChem CID20685477
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19N/c1-16-15-19-9-5-6-10-21(19)22(16)20-13-11-18(12-14-20)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3
InChIKeyJFRBALOCTBYWMC-UHFFFAOYSA-N
XLogP5.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole (CID 20685477) is 2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole is CC1Cc2ccccc2N1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole?
The InChIKey is JFRBALOCTBYWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-16-15-19-9-5-6-10-21(19)22(16)20-13-11-18(12-14-20)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3.
What are the key properties of 2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole?
2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole has a molecular weight of 285.39 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole is sourced from PubChem (CID 20685477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).