5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole

C38H23N3S — CID 138467912

IUPAC5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C38H23N3S/c1-3-11-24(12-4-1)36-37(25-13-5-2-6-14-25)40-31-23-26(19-21-30(31)39-36)41-32-17-9-7-16-29(32)35-33(41)22-20-28-27-15-8-10-18-34(27)42-38(28)35/h1-23H
InChIKeySHXWKHUAXQSEHA-UHFFFAOYSA-N
MW553.69 g/mol
LogP10.43
Rot. Bonds3

About 5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole

5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 138467912) has the molecular formula C38H23N3S and a molecular weight of 553.69 g/mol. Its IUPAC name is 5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID138467912
Molecular FormulaC38H23N3S
Molecular Weight553.69 g/mol
Exact Mass553.16
IUPAC Name5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C38H23N3S/c1-3-11-24(12-4-1)36-37(25-13-5-2-6-14-25)40-31-23-26(19-21-30(31)39-36)41-32-17-9-7-16-29(32)35-33(41)22-20-28-27-15-8-10-18-34(27)42-38(28)35/h1-23H
InChIKeySHXWKHUAXQSEHA-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-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole
CID 154952453
5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole
CID 139396945
5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118503078
9-dibenzothiophen-4-yl-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzothiophen-4-yl-14-(3-phenylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,6-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,7-diphenylquinoxalin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159375114
5-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 90211244
5-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139496961
9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122464
9-(3,5-diphenylphenyl)-23-thia-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122465993
N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine
CID 164829405
5-[3-[6-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118939041
5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 146226846

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole (CID 138467912) is 5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2nc3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3nc2-c2ccccc2)cc1.
What is the InChIKey of 5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is SHXWKHUAXQSEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3S/c1-3-11-24(12-4-1)36-37(25-13-5-2-6-14-25)40-31-23-26(19-21-30(31)39-36)41-32-17-9-7-16-29(32)35-33(41)22-20-28-27-15-8-10-18-34(27)42-38(28)35/h1-23H.
What are the key properties of 5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole?
5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]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 5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 138467912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).