3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole

C28H23NS — CID 66799933

IUPAC3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole
SMILESCC(C)Cc1cccc2c1sc1c(-c3ccc4[nH]c5ccccc5c4c3)cccc12
InChIInChI=1S/C28H23NS/c1-17(2)15-19-7-5-10-22-23-11-6-9-20(28(23)30-27(19)22)18-13-14-26-24(16-18)21-8-3-4-12-25(21)29-26/h3-14,16-17,29H,15H2,1-2H3
InChIKeyIDVHOLLGXSIYIY-UHFFFAOYSA-N
MW405.57 g/mol
LogP8.55
Rot. Bonds3

About 3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole

3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole (PubChem CID 66799933) has the molecular formula C28H23NS and a molecular weight of 405.57 g/mol. Its IUPAC name is 3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole.

Molecular Properties

Compound Name3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole
PubChem CID66799933
Molecular FormulaC28H23NS
Molecular Weight405.57 g/mol
Exact Mass405.16
IUPAC Name3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole
SMILESCC(C)Cc1cccc2c1sc1c(-c3ccc4[nH]c5ccccc5c4c3)cccc12
InChIInChI=1S/C28H23NS/c1-17(2)15-19-7-5-10-22-23-11-6-9-20(28(23)30-27(19)22)18-13-14-26-24(16-18)21-8-3-4-12-25(21)29-26/h3-14,16-17,29H,15H2,1-2H3
InChIKeyIDVHOLLGXSIYIY-UHFFFAOYSA-N
XLogP8.55
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole?
The IUPAC name of 3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole (CID 66799933) is 3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole.
What is the SMILES notation for 3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole?
The canonical SMILES for 3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole is CC(C)Cc1cccc2c1sc1c(-c3ccc4[nH]c5ccccc5c4c3)cccc12.
What is the InChIKey of 3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole?
The InChIKey is IDVHOLLGXSIYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NS/c1-17(2)15-19-7-5-10-22-23-11-6-9-20(28(23)30-27(19)22)18-13-14-26-24(16-18)21-8-3-4-12-25(21)29-26/h3-14,16-17,29H,15H2,1-2H3.
What are the key properties of 3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole?
3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole has a molecular weight of 405.57 g/mol, XLogP of 8.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole is sourced from PubChem (CID 66799933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).