7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole

C38H23N3S — CID 154952453

IUPAC7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc3ccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C38H23N3S/c1-3-11-24(12-4-1)37-38(25-13-5-2-6-14-25)40-32-21-26(19-20-31(32)39-37)41-33-17-9-7-15-27(33)29-22-30-28-16-8-10-18-35(28)42-36(30)23-34(29)41/h1-23H
InChIKeyNQDWIJCKYUNRAF-UHFFFAOYSA-N
MW553.69 g/mol
LogP10.43
Rot. Bonds3

About 7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole

7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole (PubChem CID 154952453) has the molecular formula C38H23N3S and a molecular weight of 553.69 g/mol. Its IUPAC name is 7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole
PubChem CID154952453
Molecular FormulaC38H23N3S
Molecular Weight553.69 g/mol
Exact Mass553.16
IUPAC Name7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc3ccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C38H23N3S/c1-3-11-24(12-4-1)37-38(25-13-5-2-6-14-25)40-32-21-26(19-20-31(32)39-37)41-33-17-9-7-15-27(33)29-22-30-28-16-8-10-18-35(28)42-36(30)23-34(29)41/h1-23H
InChIKeyNQDWIJCKYUNRAF-UHFFFAOYSA-N
XLogP10.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.69
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole
CID 147747131
5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole
CID 138467912
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129254561
7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
9-carbazol-9-yl-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 155006788
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193329
7-[4-[4-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-6-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126630835
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole (CID 154952453) is 7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole is c1ccc(-c2nc3ccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)cc3nc2-c2ccccc2)cc1.
What is the InChIKey of 7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is NQDWIJCKYUNRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3S/c1-3-11-24(12-4-1)37-38(25-13-5-2-6-14-25)40-32-21-26(19-20-31(32)39-37)41-33-17-9-7-15-27(33)29-22-30-28-16-8-10-18-35(28)42-36(30)23-34(29)41/h1-23H.
What are the key properties of 7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole?
7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 553.69 g/mol, XLogP of 10.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 154952453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).