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

C25H23NS — CID 169027978

IUPAC1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
SMILESCn1c2cccc(C3CCCCC3)c2c2c3sc4ccccc4c3ccc21
InChIInChI=1S/C25H23NS/c1-26-20-12-7-11-17(16-8-3-2-4-9-16)23(20)24-21(26)15-14-19-18-10-5-6-13-22(18)27-25(19)24/h5-7,10-16H,2-4,8-9H2,1H3
InChIKeyOUBJGZBOTOSTBI-UHFFFAOYSA-N
MW369.53 g/mol
LogP7.75
Rot. Bonds1

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

1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 169027978) has the molecular formula C25H23NS and a molecular weight of 369.53 g/mol. Its IUPAC name is 1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
PubChem CID169027978
Molecular FormulaC25H23NS
Molecular Weight369.53 g/mol
Exact Mass369.16
IUPAC Name1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
SMILESCn1c2cccc(C3CCCCC3)c2c2c3sc4ccccc4c3ccc21
InChIInChI=1S/C25H23NS/c1-26-20-12-7-11-17(16-8-3-2-4-9-16)23(20)24-21(26)15-14-19-18-10-5-6-13-22(18)27-25(19)24/h5-7,10-16H,2-4,8-9H2,1H3
InChIKeyOUBJGZBOTOSTBI-UHFFFAOYSA-N
XLogP7.75
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole
CID 169027706
4-cyclopropyldibenzothiophene
CID 54752889
3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
CID 169027694
5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 167224268
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline
CID 170299224
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine
CID 170300950
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170295830
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
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-phenylaniline
CID 170296118
21-methyl-9-thia-21-azahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 129296816
5-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15(23),16,18-decaen-20-yl)-[1]benzothiolo[3,2-c]carbazole
CID 144751173
2-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 170295842

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole (CID 169027978) is 1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole is Cn1c2cccc(C3CCCCC3)c2c2c3sc4ccccc4c3ccc21.
What is the InChIKey of 1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is OUBJGZBOTOSTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NS/c1-26-20-12-7-11-17(16-8-3-2-4-9-16)23(20)24-21(26)15-14-19-18-10-5-6-13-22(18)27-25(19)24/h5-7,10-16H,2-4,8-9H2,1H3.
What are the key properties of 1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole?
1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 369.53 g/mol, XLogP of 7.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methyl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 169027978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).