2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole

C38H21N3OS — CID 118616195

IUPAC2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc2nc(-c3cc4c5ccccc5sc4c4c3[nH]c3ccc(-c5ccc6oc7ccccc7c6c5)cc34)cnc2c1
InChIInChI=1S/C38H21N3OS/c1-5-11-33-23(7-1)25-17-22(14-16-34(25)42-33)21-13-15-29-27(18-21)36-37(41-29)28(32-20-39-30-9-3-4-10-31(30)40-32)19-26-24-8-2-6-12-35(24)43-38(26)36/h1-20,41H
InChIKeyFCCDWYPIPWVBBZ-UHFFFAOYSA-N
MW567.67 g/mol
LogP10.87
Rot. Bonds2

About 2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole

2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole (PubChem CID 118616195) has the molecular formula C38H21N3OS and a molecular weight of 567.67 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole
PubChem CID118616195
Molecular FormulaC38H21N3OS
Molecular Weight567.67 g/mol
Exact Mass567.14
IUPAC Name2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc2nc(-c3cc4c5ccccc5sc4c4c3[nH]c3ccc(-c5ccc6oc7ccccc7c6c5)cc34)cnc2c1
InChIInChI=1S/C38H21N3OS/c1-5-11-33-23(7-1)25-17-22(14-16-34(25)42-33)21-13-15-29-27(18-21)36-37(41-29)28(32-20-39-30-9-3-4-10-31(30)40-32)19-26-24-8-2-6-12-35(24)43-38(26)36/h1-20,41H
InChIKeyFCCDWYPIPWVBBZ-UHFFFAOYSA-N
XLogP10.87
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.67
LogP ≤ 510.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole (CID 118616195) is 2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole is c1ccc2nc(-c3cc4c5ccccc5sc4c4c3[nH]c3ccc(-c5ccc6oc7ccccc7c6c5)cc34)cnc2c1.
What is the InChIKey of 2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is FCCDWYPIPWVBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3OS/c1-5-11-33-23(7-1)25-17-22(14-16-34(25)42-33)21-13-15-29-27(18-21)36-37(41-29)28(32-20-39-30-9-3-4-10-31(30)40-32)19-26-24-8-2-6-12-35(24)43-38(26)36/h1-20,41H.
What are the key properties of 2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole?
2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 567.67 g/mol, XLogP of 10.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-6-quinoxalin-2-yl-5H-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 118616195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).