2-(2-benzylphenyl)-1H-indole

C21H17N — CID 23325485

IUPAC2-(2-benzylphenyl)-1H-indole
SMILESc1ccc(Cc2ccccc2-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H17N/c1-2-8-16(9-3-1)14-17-10-4-6-12-19(17)21-15-18-11-5-7-13-20(18)22-21/h1-13,15,22H,14H2
InChIKeyLXUBPBDGMHSPJT-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.43
Rot. Bonds3

About 2-(2-benzylphenyl)-1H-indole

2-(2-benzylphenyl)-1H-indole (PubChem CID 23325485) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2-benzylphenyl)-1H-indole.

Molecular Properties

Compound Name2-(2-benzylphenyl)-1H-indole
PubChem CID23325485
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Name2-(2-benzylphenyl)-1H-indole
SMILESc1ccc(Cc2ccccc2-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H17N/c1-2-8-16(9-3-1)14-17-10-4-6-12-19(17)21-15-18-11-5-7-13-20(18)22-21/h1-13,15,22H,14H2
InChIKeyLXUBPBDGMHSPJT-UHFFFAOYSA-N
XLogP5.43
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenyl)-1H-indole?
The IUPAC name of 2-(2-benzylphenyl)-1H-indole (CID 23325485) is 2-(2-benzylphenyl)-1H-indole.
What is the SMILES notation for 2-(2-benzylphenyl)-1H-indole?
The canonical SMILES for 2-(2-benzylphenyl)-1H-indole is c1ccc(Cc2ccccc2-c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(2-benzylphenyl)-1H-indole?
The InChIKey is LXUBPBDGMHSPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c1-2-8-16(9-3-1)14-17-10-4-6-12-19(17)21-15-18-11-5-7-13-20(18)22-21/h1-13,15,22H,14H2.
What are the key properties of 2-(2-benzylphenyl)-1H-indole?
2-(2-benzylphenyl)-1H-indole has a molecular weight of 283.37 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenyl)-1H-indole is sourced from PubChem (CID 23325485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).