2,3,3-trimethyl-5-phenylindole

C17H17N — CID 3100870

IUPAC2,3,3-trimethyl-5-phenylindole
SMILESCC1=Nc2ccc(-c3ccccc3)cc2C1(C)C
InChIInChI=1S/C17H17N/c1-12-17(2,3)15-11-14(9-10-16(15)18-12)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyRUEVOVIBTGMVJR-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.74
Rot. Bonds1

About 2,3,3-trimethyl-5-phenylindole

2,3,3-trimethyl-5-phenylindole (PubChem CID 3100870) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,3,3-trimethyl-5-phenylindole.

Molecular Properties

Compound Name2,3,3-trimethyl-5-phenylindole
PubChem CID3100870
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2,3,3-trimethyl-5-phenylindole
SMILESCC1=Nc2ccc(-c3ccccc3)cc2C1(C)C
InChIInChI=1S/C17H17N/c1-12-17(2,3)15-11-14(9-10-16(15)18-12)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyRUEVOVIBTGMVJR-UHFFFAOYSA-N
XLogP4.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-5-phenylindole?
The IUPAC name of 2,3,3-trimethyl-5-phenylindole (CID 3100870) is 2,3,3-trimethyl-5-phenylindole.
What is the SMILES notation for 2,3,3-trimethyl-5-phenylindole?
The canonical SMILES for 2,3,3-trimethyl-5-phenylindole is CC1=Nc2ccc(-c3ccccc3)cc2C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-5-phenylindole?
The InChIKey is RUEVOVIBTGMVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-12-17(2,3)15-11-14(9-10-16(15)18-12)13-7-5-4-6-8-13/h4-11H,1-3H3.
What are the key properties of 2,3,3-trimethyl-5-phenylindole?
2,3,3-trimethyl-5-phenylindole has a molecular weight of 235.33 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-5-phenylindole is sourced from PubChem (CID 3100870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).