3,6-ditert-butyl-4,9-dihydro-3H-carbazole

C20H27N — CID 70986017

IUPAC3,6-ditert-butyl-4,9-dihydro-3H-carbazole
SMILESCC(C)(C)c1ccc2[nH]c3c(c2c1)CC(C(C)(C)C)C=C3
InChIInChI=1S/C20H27N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-11,14,21H,12H2,1-6H3
InChIKeyJYFYTCBLMPJSQJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.70
Rot. Bonds

About 3,6-ditert-butyl-4,9-dihydro-3H-carbazole

3,6-ditert-butyl-4,9-dihydro-3H-carbazole (PubChem CID 70986017) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 3,6-ditert-butyl-4,9-dihydro-3H-carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-4,9-dihydro-3H-carbazole
PubChem CID70986017
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3,6-ditert-butyl-4,9-dihydro-3H-carbazole
SMILESCC(C)(C)c1ccc2[nH]c3c(c2c1)CC(C(C)(C)C)C=C3
InChIInChI=1S/C20H27N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-11,14,21H,12H2,1-6H3
InChIKeyJYFYTCBLMPJSQJ-UHFFFAOYSA-N
XLogP5.70
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-4,9-dihydro-3H-carbazole?
The IUPAC name of 3,6-ditert-butyl-4,9-dihydro-3H-carbazole (CID 70986017) is 3,6-ditert-butyl-4,9-dihydro-3H-carbazole.
What is the SMILES notation for 3,6-ditert-butyl-4,9-dihydro-3H-carbazole?
The canonical SMILES for 3,6-ditert-butyl-4,9-dihydro-3H-carbazole is CC(C)(C)c1ccc2[nH]c3c(c2c1)CC(C(C)(C)C)C=C3.
What is the InChIKey of 3,6-ditert-butyl-4,9-dihydro-3H-carbazole?
The InChIKey is JYFYTCBLMPJSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-11,14,21H,12H2,1-6H3.
What are the key properties of 3,6-ditert-butyl-4,9-dihydro-3H-carbazole?
3,6-ditert-butyl-4,9-dihydro-3H-carbazole has a molecular weight of 281.44 g/mol, XLogP of 5.70, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-4,9-dihydro-3H-carbazole is sourced from PubChem (CID 70986017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).