6-tert-butyl-2-phenyl-3H-indole

C18H19N — CID 118318358

IUPAC6-tert-butyl-2-phenyl-3H-indole
SMILESCC(C)(C)c1ccc2c(c1)N=C(c1ccccc1)C2
InChIInChI=1S/C18H19N/c1-18(2,3)15-10-9-14-11-16(19-17(14)12-15)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3
InChIKeyIGLQVTWZLLBERS-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.66
Rot. Bonds1

About 6-tert-butyl-2-phenyl-3H-indole

6-tert-butyl-2-phenyl-3H-indole (PubChem CID 118318358) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-tert-butyl-2-phenyl-3H-indole.

Molecular Properties

Compound Name6-tert-butyl-2-phenyl-3H-indole
PubChem CID118318358
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name6-tert-butyl-2-phenyl-3H-indole
SMILESCC(C)(C)c1ccc2c(c1)N=C(c1ccccc1)C2
InChIInChI=1S/C18H19N/c1-18(2,3)15-10-9-14-11-16(19-17(14)12-15)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3
InChIKeyIGLQVTWZLLBERS-UHFFFAOYSA-N
XLogP4.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-phenyl-3H-indole?
The IUPAC name of 6-tert-butyl-2-phenyl-3H-indole (CID 118318358) is 6-tert-butyl-2-phenyl-3H-indole.
What is the SMILES notation for 6-tert-butyl-2-phenyl-3H-indole?
The canonical SMILES for 6-tert-butyl-2-phenyl-3H-indole is CC(C)(C)c1ccc2c(c1)N=C(c1ccccc1)C2.
What is the InChIKey of 6-tert-butyl-2-phenyl-3H-indole?
The InChIKey is IGLQVTWZLLBERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-18(2,3)15-10-9-14-11-16(19-17(14)12-15)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3.
What are the key properties of 6-tert-butyl-2-phenyl-3H-indole?
6-tert-butyl-2-phenyl-3H-indole has a molecular weight of 249.36 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-phenyl-3H-indole is sourced from PubChem (CID 118318358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).