5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole

C25H17NS — CID 144782003

IUPAC5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESCn1c2ccccc2c2c3sc4c(-c5ccccc5)cccc4c3ccc21
InChIInChI=1S/C25H17NS/c1-26-21-13-6-5-10-20(21)23-22(26)15-14-19-18-12-7-11-17(24(18)27-25(19)23)16-8-3-2-4-9-16/h2-15H,1H3
InChIKeyRDAVOKWHSUBIMY-UHFFFAOYSA-N
MW363.49 g/mol
LogP7.37
Rot. Bonds1

About 5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole

5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 144782003) has the molecular formula C25H17NS and a molecular weight of 363.49 g/mol. Its IUPAC name is 5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole
PubChem CID144782003
Molecular FormulaC25H17NS
Molecular Weight363.49 g/mol
Exact Mass363.11
IUPAC Name5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESCn1c2ccccc2c2c3sc4c(-c5ccccc5)cccc4c3ccc21
InChIInChI=1S/C25H17NS/c1-26-21-13-6-5-10-20(21)23-22(26)15-14-19-18-12-7-11-17(24(18)27-25(19)23)16-8-3-2-4-9-16/h2-15H,1H3
InChIKeyRDAVOKWHSUBIMY-UHFFFAOYSA-N
XLogP7.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.49
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-but-2-ene;4-phenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 145021121
trimethyl-[6-(11-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)dibenzofuran-4-yl]silane
CID 140721182
5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 167224268
5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 158127290
5-methyl-8,12-diphenylindolo[3,2-c]carbazole
CID 176615469
5-[2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 164962109
11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole
CID 146541355
5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole
CID 126656177
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299
6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736477
11-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 71235139
11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 146541392

Frequently Asked Questions

What is the IUPAC name of 5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole (CID 144782003) is 5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole is Cn1c2ccccc2c2c3sc4c(-c5ccccc5)cccc4c3ccc21.
What is the InChIKey of 5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is RDAVOKWHSUBIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NS/c1-26-21-13-6-5-10-20(21)23-22(26)15-14-19-18-12-7-11-17(24(18)27-25(19)23)16-8-3-2-4-9-16/h2-15H,1H3.
What are the key properties of 5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole?
5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 363.49 g/mol, XLogP of 7.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 144782003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).