2,6-ditert-butyl-1-ethenylindole

C18H25N — CID 153429567

IUPAC2,6-ditert-butyl-1-ethenylindole
SMILESC=Cn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C18H25N/c1-8-19-15-12-14(17(2,3)4)10-9-13(15)11-16(19)18(5,6)7/h8-12H,1H2,2-7H3
InChIKeyDFLQHGJSZKFOFV-UHFFFAOYSA-N
MW255.40 g/mol
LogP5.34
Rot. Bonds1

About 2,6-ditert-butyl-1-ethenylindole

2,6-ditert-butyl-1-ethenylindole (PubChem CID 153429567) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 2,6-ditert-butyl-1-ethenylindole.

Molecular Properties

Compound Name2,6-ditert-butyl-1-ethenylindole
PubChem CID153429567
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name2,6-ditert-butyl-1-ethenylindole
SMILESC=Cn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C18H25N/c1-8-19-15-12-14(17(2,3)4)10-9-13(15)11-16(19)18(5,6)7/h8-12H,1H2,2-7H3
InChIKeyDFLQHGJSZKFOFV-UHFFFAOYSA-N
XLogP5.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.40
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,6-ditert-butyl-1-(difluoromethyl)indole
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CID 153429566
2,6-ditert-butylanthracene
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2,7-ditert-butylphenazine
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CID 84631643
CID 88965064
CID 88965064
2-tert-butyl-1-(methoxymethyl)indole
CID 25156356
1-(4-tert-butylphenyl)-2-chloroindole
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6-tert-butyl-1,2-dimethylbenzimidazole
CID 70331345
9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole
CID 121245405

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-1-ethenylindole?
The IUPAC name of 2,6-ditert-butyl-1-ethenylindole (CID 153429567) is 2,6-ditert-butyl-1-ethenylindole.
What is the SMILES notation for 2,6-ditert-butyl-1-ethenylindole?
The canonical SMILES for 2,6-ditert-butyl-1-ethenylindole is C=Cn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 2,6-ditert-butyl-1-ethenylindole?
The InChIKey is DFLQHGJSZKFOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-8-19-15-12-14(17(2,3)4)10-9-13(15)11-16(19)18(5,6)7/h8-12H,1H2,2-7H3.
What are the key properties of 2,6-ditert-butyl-1-ethenylindole?
2,6-ditert-butyl-1-ethenylindole has a molecular weight of 255.40 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-1-ethenylindole is sourced from PubChem (CID 153429567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).