3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole

C28H23NS — CID 66800201

IUPAC3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole
SMILESCC(C)(C)c1cccc2c1sc1c(-c3ccc4[nH]c5ccccc5c4c3)cccc12
InChIInChI=1S/C28H23NS/c1-28(2,3)23-12-7-11-21-20-10-6-9-18(26(20)30-27(21)23)17-14-15-25-22(16-17)19-8-4-5-13-24(19)29-25/h4-16,29H,1-3H3
InChIKeyUMXYHEYYFDXMBO-UHFFFAOYSA-N
MW405.57 g/mol
LogP8.65
Rot. Bonds1

About 3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole

3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole (PubChem CID 66800201) has the molecular formula C28H23NS and a molecular weight of 405.57 g/mol. Its IUPAC name is 3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole.

Molecular Properties

Compound Name3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole
PubChem CID66800201
Molecular FormulaC28H23NS
Molecular Weight405.57 g/mol
Exact Mass405.16
IUPAC Name3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole
SMILESCC(C)(C)c1cccc2c1sc1c(-c3ccc4[nH]c5ccccc5c4c3)cccc12
InChIInChI=1S/C28H23NS/c1-28(2,3)23-12-7-11-21-20-10-6-9-18(26(20)30-27(21)23)17-14-15-25-22(16-17)19-8-4-5-13-24(19)29-25/h4-16,29H,1-3H3
InChIKeyUMXYHEYYFDXMBO-UHFFFAOYSA-N
XLogP8.65
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 58.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole
CID 66800641
3-[6-(2-methylpropyl)dibenzothiophen-4-yl]-9H-carbazole
CID 66799933
3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole
CID 162055405
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
bis(10-[3-(6-tert-butyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine);10-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 158090279
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
3,6-bis(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)-9H-carbazole
CID 87157791
3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole
CID 144661628
1-(3-tert-butylphenyl)-5,11-dihydroindolo[3,2-b]carbazole
CID 168873272
1-tert-butyl-6-(3-phenylphenyl)dibenzothiophene
CID 164821799
1-tert-butyl-2-(6-tert-butyldibenzothiophen-3-yl)dibenzothiophene
CID 138708079

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole?
The IUPAC name of 3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole (CID 66800201) is 3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole.
What is the SMILES notation for 3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole?
The canonical SMILES for 3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole is CC(C)(C)c1cccc2c1sc1c(-c3ccc4[nH]c5ccccc5c4c3)cccc12.
What is the InChIKey of 3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole?
The InChIKey is UMXYHEYYFDXMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NS/c1-28(2,3)23-12-7-11-21-20-10-6-9-18(26(20)30-27(21)23)17-14-15-25-22(16-17)19-8-4-5-13-24(19)29-25/h4-16,29H,1-3H3.
What are the key properties of 3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole?
3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole has a molecular weight of 405.57 g/mol, XLogP of 8.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole is sourced from PubChem (CID 66800201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).