2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole

C21H26N2 — CID 151304935

IUPAC2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole
SMILESCC(C)(C)c1cc(-c2cc3ccccc3[nH]2)cc(C(C)(C)C)n1
InChIInChI=1S/C21H26N2/c1-20(2,3)18-12-15(13-19(23-18)21(4,5)6)17-11-14-9-7-8-10-16(14)22-17/h7-13,22H,1-6H3
InChIKeyODEWLPKHJJXYLP-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.82
Rot. Bonds1

About 2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole

2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole (PubChem CID 151304935) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole.

Molecular Properties

Compound Name2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole
PubChem CID151304935
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole
SMILESCC(C)(C)c1cc(-c2cc3ccccc3[nH]2)cc(C(C)(C)C)n1
InChIInChI=1S/C21H26N2/c1-20(2,3)18-12-15(13-19(23-18)21(4,5)6)17-11-14-9-7-8-10-16(14)22-17/h7-13,22H,1-6H3
InChIKeyODEWLPKHJJXYLP-UHFFFAOYSA-N
XLogP5.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-2-yl)-5-(4-methylphenyl)benzoic acid
CID 68762875
ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole
CID 143223648
2-(5-methyl-3-pyridinyl)-1H-indole
CID 147492760
4-(1H-indol-2-yl)phenol
CID 11287260
4-(1H-indol-2-yl)benzenethiol;methanol
CID 160504693
2-pyridin-3-yl-1H-indole
CID 606677
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134
2-(1H-diazirin-3-yl)-1H-indole
CID 137250152
2-pyridin-3-yl-1H-indole;hydrochloride
CID 159150480
3-(1H-indol-2-yl)acridine
CID 151493055
2-(5-methyl-2-pyridinyl)-1H-indole
CID 66770585
2-(4-pyridin-3-ylphenyl)-1H-indole
CID 91518635

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole?
The IUPAC name of 2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole (CID 151304935) is 2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole.
What is the SMILES notation for 2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole?
The canonical SMILES for 2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole is CC(C)(C)c1cc(-c2cc3ccccc3[nH]2)cc(C(C)(C)C)n1.
What is the InChIKey of 2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole?
The InChIKey is ODEWLPKHJJXYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-20(2,3)18-12-15(13-19(23-18)21(4,5)6)17-11-14-9-7-8-10-16(14)22-17/h7-13,22H,1-6H3.
What are the key properties of 2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole?
2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole has a molecular weight of 306.45 g/mol, XLogP of 5.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole is sourced from PubChem (CID 151304935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).