2,3-ditert-butyl-1H-indole

C16H23N — CID 22374639

IUPAC2,3-ditert-butyl-1H-indole
SMILESCC(C)(C)c1[nH]c2ccccc2c1C(C)(C)C
InChIInChI=1S/C16H23N/c1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6/h7-10,17H,1-6H3
InChIKeyHEUMZTLZXXILKC-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.76
Rot. Bonds

About 2,3-ditert-butyl-1H-indole

2,3-ditert-butyl-1H-indole (PubChem CID 22374639) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2,3-ditert-butyl-1H-indole.

Molecular Properties

Compound Name2,3-ditert-butyl-1H-indole
PubChem CID22374639
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2,3-ditert-butyl-1H-indole
SMILESCC(C)(C)c1[nH]c2ccccc2c1C(C)(C)C
InChIInChI=1S/C16H23N/c1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6/h7-10,17H,1-6H3
InChIKeyHEUMZTLZXXILKC-UHFFFAOYSA-N
XLogP4.76
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3,4-ditert-butyl-1H-quinolin-2-one
CID 58782577
2-tert-butyl-3-pentyl-1H-indole
CID 121472314
(2-tert-butyl-1H-indol-3-yl) methanesulfonate
CID 177458922
3,4-ditert-butyl-9H-carbazole
CID 141464805
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole
CID 66668984
4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole
CID 155403712
bromomethane;9H-carbazole
CID 67594562
ethyl 2-(2-tert-butyl-1H-indol-3-yl)-2-oxoacetate
CID 12904507
bis(9H-carbazole);platinum(2+)
CID 175826437
9H-carbazole;copper
CID 159878189

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-1H-indole?
The IUPAC name of 2,3-ditert-butyl-1H-indole (CID 22374639) is 2,3-ditert-butyl-1H-indole.
What is the SMILES notation for 2,3-ditert-butyl-1H-indole?
The canonical SMILES for 2,3-ditert-butyl-1H-indole is CC(C)(C)c1[nH]c2ccccc2c1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-1H-indole?
The InChIKey is HEUMZTLZXXILKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6/h7-10,17H,1-6H3.
What are the key properties of 2,3-ditert-butyl-1H-indole?
2,3-ditert-butyl-1H-indole has a molecular weight of 229.37 g/mol, XLogP of 4.76, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-1H-indole is sourced from PubChem (CID 22374639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).