3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole

C23H21NS — CID 169027694

IUPAC3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
SMILESCn1c2cc(C(C)(C)C)ccc2c2c3sc4ccccc4c3ccc21
InChIInChI=1S/C23H21NS/c1-23(2,3)14-9-10-17-19(13-14)24(4)18-12-11-16-15-7-5-6-8-20(15)25-22(16)21(17)18/h5-13H,1-4H3
InChIKeyOUVGWDXLLNGOKW-UHFFFAOYSA-N
MW343.50 g/mol
LogP7.00
Rot. Bonds

About 3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole

3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 169027694) has the molecular formula C23H21NS and a molecular weight of 343.50 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
PubChem CID169027694
Molecular FormulaC23H21NS
Molecular Weight343.50 g/mol
Exact Mass343.14
IUPAC Name3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
SMILESCn1c2cc(C(C)(C)C)ccc2c2c3sc4ccccc4c3ccc21
InChIInChI=1S/C23H21NS/c1-23(2,3)14-9-10-17-19(13-14)24(4)18-12-11-16-15-7-5-6-8-20(15)25-22(16)21(17)18/h5-13H,1-4H3
InChIKeyOUVGWDXLLNGOKW-UHFFFAOYSA-N
XLogP7.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.50
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-12-methyl-[1]benzothiolo[2,3-a]carbazole
CID 169027748
5-[4-[4-(3-tert-butylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 167193144
5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 167224268
6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
CID 169027921
6-tert-butyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene
CID 176726906
4-[5-tert-butyl-2-(4-tert-butyl-2-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 66684505
12-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 167193410
5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 144782003
9-tert-butylnaphtho[1,2-b][1]benzothiole
CID 161246304
15-methyl-12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 134472332
1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
CID 169027978
5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121339080

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole (CID 169027694) is 3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole is Cn1c2cc(C(C)(C)C)ccc2c2c3sc4ccccc4c3ccc21.
What is the InChIKey of 3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is OUVGWDXLLNGOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NS/c1-23(2,3)14-9-10-17-19(13-14)24(4)18-12-11-16-15-7-5-6-8-20(15)25-22(16)21(17)18/h5-13H,1-4H3.
What are the key properties of 3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole?
3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 343.50 g/mol, XLogP of 7.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 169027694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).