9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole

C50H30N4S — CID 58099822

IUPAC9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc3c2sc2c(-n4c5ccccc5c5ccccc54)cc(-c4cccc5nccnc45)cc23)c1
InChIInChI=1S/C50H30N4S/c1-6-22-42-33(13-1)34-14-2-7-23-43(34)53(42)46-26-10-5-17-37(46)38-19-11-20-39-40-29-31(32-18-12-21-41-48(32)52-28-27-51-41)30-47(50(40)55-49(38)39)54-44-24-8-3-15-35(44)36-16-4-9-25-45(36)54/h1-30H
InChIKeyWXLUSRKJGDNQHE-UHFFFAOYSA-N
MW718.89 g/mol
LogP13.53
Rot. Bonds4

About 9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole

9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole (PubChem CID 58099822) has the molecular formula C50H30N4S and a molecular weight of 718.89 g/mol. Its IUPAC name is 9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole
PubChem CID58099822
Molecular FormulaC50H30N4S
Molecular Weight718.89 g/mol
Exact Mass718.22
IUPAC Name9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc3c2sc2c(-n4c5ccccc5c5ccccc54)cc(-c4cccc5nccnc45)cc23)c1
InChIInChI=1S/C50H30N4S/c1-6-22-42-33(13-1)34-14-2-7-23-43(34)53(42)46-26-10-5-17-37(46)38-19-11-20-39-40-29-31(32-18-12-21-41-48(32)52-28-27-51-41)30-47(50(40)55-49(38)39)54-44-24-8-3-15-35(44)36-16-4-9-25-45(36)54/h1-30H
InChIKeyWXLUSRKJGDNQHE-UHFFFAOYSA-N
XLogP13.53
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.89
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole?
The IUPAC name of 9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole (CID 58099822) is 9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole?
The canonical SMILES for 9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc3c2sc2c(-n4c5ccccc5c5ccccc54)cc(-c4cccc5nccnc45)cc23)c1.
What is the InChIKey of 9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole?
The InChIKey is WXLUSRKJGDNQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4S/c1-6-22-42-33(13-1)34-14-2-7-23-43(34)53(42)46-26-10-5-17-37(46)38-19-11-20-39-40-29-31(32-18-12-21-41-48(32)52-28-27-51-41)30-47(50(40)55-49(38)39)54-44-24-8-3-15-35(44)36-16-4-9-25-45(36)54/h1-30H.
What are the key properties of 9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole?
9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole has a molecular weight of 718.89 g/mol, XLogP of 13.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 58099822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).