3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole

C28H23NS — CID 66800641

IUPAC3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole
SMILESCC(C)(C)c1ccc2[nH]c3ccc(-c4cccc5c4sc4ccccc45)cc3c2c1
InChIInChI=1S/C28H23NS/c1-28(2,3)18-12-14-25-23(16-18)22-15-17(11-13-24(22)29-25)19-8-6-9-21-20-7-4-5-10-26(20)30-27(19)21/h4-16,29H,1-3H3
InChIKeyPNOXLRRXJHTTDI-UHFFFAOYSA-N
MW405.57 g/mol
LogP8.65
Rot. Bonds1

About 3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole

3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole (PubChem CID 66800641) has the molecular formula C28H23NS and a molecular weight of 405.57 g/mol. Its IUPAC name is 3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole.

Molecular Properties

Compound Name3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole
PubChem CID66800641
Molecular FormulaC28H23NS
Molecular Weight405.57 g/mol
Exact Mass405.16
IUPAC Name3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole
SMILESCC(C)(C)c1ccc2[nH]c3ccc(-c4cccc5c4sc4ccccc45)cc3c2c1
InChIInChI=1S/C28H23NS/c1-28(2,3)18-12-14-25-23(16-18)22-15-17(11-13-24(22)29-25)19-8-6-9-21-20-7-4-5-10-26(20)30-27(19)21/h4-16,29H,1-3H3
InChIKeyPNOXLRRXJHTTDI-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-(6-tert-butyldibenzothiophen-4-yl)-9H-carbazole
CID 66800201
4-[5-tert-butyl-2-(4-tert-butyl-2-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 66684505
3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole
CID 162055405
4-[4-[3-(4-tert-butylphenyl)phenanthren-9-yl]phenyl]dibenzothiophene
CID 87688457
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;4,6-bis[4-(6-phenyldibenzothiophen-4-yl)phenyl]dibenzothiophene;10-(7-tert-butyltriphenylen-2-yl)naphtho[1,2-b][1]benzothiole;10-chrysen-2-ylnaphtho[1,2-b][1]benzothiole;10-chrysen-3-ylnaphtho[1,2-b][1]benzothiole;10-(4-phenanthren-3-ylphenyl)naphtho[1,2-b][1]benzothiole;10-triphenylen-2-ylnaphtho[1,2-b][1]benzothiole;10-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiole
CID 159164531
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-[3-[3-(3,14-ditert-butyl-19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6(11),7,9,12(17),13,15-nonaenyl)phenyl]phenyl]dibenzothiophene
CID 88557536
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene
CID 155401257

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole?
The IUPAC name of 3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole (CID 66800641) is 3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole.
What is the SMILES notation for 3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole?
The canonical SMILES for 3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole is CC(C)(C)c1ccc2[nH]c3ccc(-c4cccc5c4sc4ccccc45)cc3c2c1.
What is the InChIKey of 3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole?
The InChIKey is PNOXLRRXJHTTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NS/c1-28(2,3)18-12-14-25-23(16-18)22-15-17(11-13-24(22)29-25)19-8-6-9-21-20-7-4-5-10-26(20)30-27(19)21/h4-16,29H,1-3H3.
What are the key properties of 3-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole?
3-tert-butyl-6-dibenzothiophen-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-tert-butyl-6-dibenzothiophen-4-yl-9H-carbazole is sourced from PubChem (CID 66800641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).