6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole

C26H17NOS — CID 134390385

IUPAC6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)sc1c(-n3c4ccccc4c4c5c(ccc43)CCO5)cccc12
InChIInChI=1S/C26H17NOS/c1-3-9-20-19(7-1)24-21(13-12-16-14-15-28-25(16)24)27(20)22-10-5-8-18-17-6-2-4-11-23(17)29-26(18)22/h1-13H,14-15H2
InChIKeyYQUQWKSGDZRECK-UHFFFAOYSA-N
MW391.50 g/mol
LogP7.09
Rot. Bonds1

About 6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole

6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole (PubChem CID 134390385) has the molecular formula C26H17NOS and a molecular weight of 391.50 g/mol. Its IUPAC name is 6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole.

Molecular Properties

Compound Name6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole
PubChem CID134390385
Molecular FormulaC26H17NOS
Molecular Weight391.50 g/mol
Exact Mass391.10
IUPAC Name6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)sc1c(-n3c4ccccc4c4c5c(ccc43)CCO5)cccc12
InChIInChI=1S/C26H17NOS/c1-3-9-20-19(7-1)24-21(13-12-16-14-15-28-25(16)24)27(20)22-10-5-8-18-17-6-2-4-11-23(17)29-26(18)22/h1-13H,14-15H2
InChIKeyYQUQWKSGDZRECK-UHFFFAOYSA-N
XLogP7.09
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole?
The IUPAC name of 6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole (CID 134390385) is 6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole.
What is the SMILES notation for 6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole?
The canonical SMILES for 6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole is c1ccc2c(c1)sc1c(-n3c4ccccc4c4c5c(ccc43)CCO5)cccc12.
What is the InChIKey of 6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole?
The InChIKey is YQUQWKSGDZRECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NOS/c1-3-9-20-19(7-1)24-21(13-12-16-14-15-28-25(16)24)27(20)22-10-5-8-18-17-6-2-4-11-23(17)29-26(18)22/h1-13H,14-15H2.
What are the key properties of 6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole?
6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole has a molecular weight of 391.50 g/mol, XLogP of 7.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzothiophen-4-yl-2,3-dihydrofuro[3,2-c]carbazole is sourced from PubChem (CID 134390385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).