4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole

C25H23NS — CID 169027706

IUPAC4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole
SMILESCn1c2cccc(C3CCCCC3)c2c2ccc3c4ccccc4sc3c21
InChIInChI=1S/C25H23NS/c1-26-21-12-7-11-17(16-8-3-2-4-9-16)23(21)20-15-14-19-18-10-5-6-13-22(18)27-25(19)24(20)26/h5-7,10-16H,2-4,8-9H2,1H3
InChIKeyIUVHKGZYHMNSTC-UHFFFAOYSA-N
MW369.53 g/mol
LogP7.75
Rot. Bonds1

About 4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole

4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole (PubChem CID 169027706) has the molecular formula C25H23NS and a molecular weight of 369.53 g/mol. Its IUPAC name is 4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole
PubChem CID169027706
Molecular FormulaC25H23NS
Molecular Weight369.53 g/mol
Exact Mass369.16
IUPAC Name4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole
SMILESCn1c2cccc(C3CCCCC3)c2c2ccc3c4ccccc4sc3c21
InChIInChI=1S/C25H23NS/c1-26-21-12-7-11-17(16-8-3-2-4-9-16)23(21)20-15-14-19-18-10-5-6-13-22(18)27-25(19)24(20)26/h5-7,10-16H,2-4,8-9H2,1H3
InChIKeyIUVHKGZYHMNSTC-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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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole (CID 169027706) is 4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole is Cn1c2cccc(C3CCCCC3)c2c2ccc3c4ccccc4sc3c21.
What is the InChIKey of 4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is IUVHKGZYHMNSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NS/c1-26-21-12-7-11-17(16-8-3-2-4-9-16)23(21)20-15-14-19-18-10-5-6-13-22(18)27-25(19)24(20)26/h5-7,10-16H,2-4,8-9H2,1H3.
What are the key properties of 4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole?
4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]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 4-cyclohexyl-12-methyl-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 169027706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).