8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole

C38H21N3S2 — CID 118615395

IUPAC8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc2nc(-c3c4[nH]c5ccc(-c6cccc7c6sc6ccccc67)cc5c4cc4sc5ccccc5c34)cnc2c1
InChIInChI=1S/C38H21N3S2/c1-5-14-32-23(8-1)24-11-7-10-22(38(24)43-32)21-16-17-28-26(18-21)27-19-34-35(25-9-2-6-15-33(25)42-34)36(37(27)41-28)31-20-39-29-12-3-4-13-30(29)40-31/h1-20,41H
InChIKeyPJFNQJMBZVHFPK-UHFFFAOYSA-N
MW583.74 g/mol
LogP11.33
Rot. Bonds2

About 8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole

8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole (PubChem CID 118615395) has the molecular formula C38H21N3S2 and a molecular weight of 583.74 g/mol. Its IUPAC name is 8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole
PubChem CID118615395
Molecular FormulaC38H21N3S2
Molecular Weight583.74 g/mol
Exact Mass583.12
IUPAC Name8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc2nc(-c3c4[nH]c5ccc(-c6cccc7c6sc6ccccc67)cc5c4cc4sc5ccccc5c34)cnc2c1
InChIInChI=1S/C38H21N3S2/c1-5-14-32-23(8-1)24-11-7-10-22(38(24)43-32)21-16-17-28-26(18-21)27-19-34-35(25-9-2-6-15-33(25)42-34)36(37(27)41-28)31-20-39-29-12-3-4-13-30(29)40-31/h1-20,41H
InChIKeyPJFNQJMBZVHFPK-UHFFFAOYSA-N
XLogP11.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.74
LogP ≤ 511.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole (CID 118615395) is 8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole is c1ccc2nc(-c3c4[nH]c5ccc(-c6cccc7c6sc6ccccc67)cc5c4cc4sc5ccccc5c34)cnc2c1.
What is the InChIKey of 8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is PJFNQJMBZVHFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3S2/c1-5-14-32-23(8-1)24-11-7-10-22(38(24)43-32)21-16-17-28-26(18-21)27-19-34-35(25-9-2-6-15-33(25)42-34)36(37(27)41-28)31-20-39-29-12-3-4-13-30(29)40-31/h1-20,41H.
What are the key properties of 8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole?
8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 583.74 g/mol, XLogP of 11.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzothiophen-4-yl-12-quinoxalin-2-yl-11H-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 118615395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).