7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole

C24H23NS — CID 71007516

IUPAC7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole
SMILESC1=CCC2NC3C=C(C4=C5SC6=C(C=CCC6)C5CC=C4)C=CC3C2=C1
InChIInChI=1S/C24H23NS/c1-3-10-21-17(6-1)18-13-12-15(14-22(18)25-21)16-8-5-9-20-19-7-2-4-11-23(19)26-24(16)20/h1-3,5-8,12-14,18,20-22,25H,4,9-11H2
InChIKeyBLNUWRRYTFRGGY-UHFFFAOYSA-N
MW357.52 g/mol
LogP5.51
Rot. Bonds1

About 7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole

7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole (PubChem CID 71007516) has the molecular formula C24H23NS and a molecular weight of 357.52 g/mol. Its IUPAC name is 7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole
PubChem CID71007516
Molecular FormulaC24H23NS
Molecular Weight357.52 g/mol
Exact Mass357.16
IUPAC Name7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole
SMILESC1=CCC2NC3C=C(C4=C5SC6=C(C=CCC6)C5CC=C4)C=CC3C2=C1
InChIInChI=1S/C24H23NS/c1-3-10-21-17(6-1)18-13-12-15(14-22(18)25-21)16-8-5-9-20-19-7-2-4-11-23(19)26-24(16)20/h1-3,5-8,12-14,18,20-22,25H,4,9-11H2
InChIKeyBLNUWRRYTFRGGY-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.52
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole?
The IUPAC name of 7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole (CID 71007516) is 7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole.
What is the SMILES notation for 7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole?
The canonical SMILES for 7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole is C1=CCC2NC3C=C(C4=C5SC6=C(C=CCC6)C5CC=C4)C=CC3C2=C1.
What is the InChIKey of 7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole?
The InChIKey is BLNUWRRYTFRGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NS/c1-3-10-21-17(6-1)18-13-12-15(14-22(18)25-21)16-8-5-9-20-19-7-2-4-11-23(19)26-24(16)20/h1-3,5-8,12-14,18,20-22,25H,4,9-11H2.
What are the key properties of 7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole?
7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole has a molecular weight of 357.52 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-4b,8a,9,9a-tetrahydro-1H-carbazole is sourced from PubChem (CID 71007516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).