9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole

C54H33N3S — CID 154952634

IUPAC9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole
SMILESc1ccc(-c2nc3cccc(-c4cccc(-n5c6cc(-c7cccc8c7sc7ccccc78)ccc6c6c7ccccc7ccc65)c4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C54H33N3S/c1-3-15-35(16-4-1)51-52(36-17-5-2-6-18-36)56-53-41(23-13-26-46(53)55-51)37-19-11-20-39(32-37)57-47-31-29-34-14-7-8-21-40(34)50(47)45-30-28-38(33-48(45)57)42-24-12-25-44-43-22-9-10-27-49(43)58-54(42)44/h1-33H
InChIKeyGHHGFXKACAKXDI-UHFFFAOYSA-N
MW755.95 g/mol
LogP14.92
Rot. Bonds5

About 9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole

9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole (PubChem CID 154952634) has the molecular formula C54H33N3S and a molecular weight of 755.95 g/mol. Its IUPAC name is 9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole
PubChem CID154952634
Molecular FormulaC54H33N3S
Molecular Weight755.95 g/mol
Exact Mass755.24
IUPAC Name9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole
SMILESc1ccc(-c2nc3cccc(-c4cccc(-n5c6cc(-c7cccc8c7sc7ccccc78)ccc6c6c7ccccc7ccc65)c4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C54H33N3S/c1-3-15-35(16-4-1)51-52(36-17-5-2-6-18-36)56-53-41(23-13-26-46(53)55-51)37-19-11-20-39(32-37)57-47-31-29-34-14-7-8-21-40(34)50(47)45-30-28-38(33-48(45)57)42-24-12-25-44-43-22-9-10-27-49(43)58-54(42)44/h1-33H
InChIKeyGHHGFXKACAKXDI-UHFFFAOYSA-N
XLogP14.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.95
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-dibenzothiophen-4-yl-7-(2,3-diphenylquinoxalin-5-yl)benzo[c]carbazole;9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole;9-dibenzothiophen-4-yl-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole
CID 159259344
7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-N,N-diphenylbenzo[g]carbazol-9-amine
CID 154952571
12-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-dibenzothiophen-4-ylquinoxalin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 158618141
5-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-2-phenylquinoxaline
CID 171724764
6-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9,21-diphenyl-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 163623006
7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166915327
8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 145419218
7-(2,3-diphenylquinoxalin-5-yl)-9-phenylbenzo[c]carbazole
CID 154952692
7-(2,3-diphenylquinoxalin-5-yl)-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole
CID 154952593
2-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole;3-(9-phenylcarbazol-3-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 159438708
10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 168730639
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

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole?
The IUPAC name of 9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole (CID 154952634) is 9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole.
What is the SMILES notation for 9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole?
The canonical SMILES for 9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole is c1ccc(-c2nc3cccc(-c4cccc(-n5c6cc(-c7cccc8c7sc7ccccc78)ccc6c6c7ccccc7ccc65)c4)c3nc2-c2ccccc2)cc1.
What is the InChIKey of 9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole?
The InChIKey is GHHGFXKACAKXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3S/c1-3-15-35(16-4-1)51-52(36-17-5-2-6-18-36)56-53-41(23-13-26-46(53)55-51)37-19-11-20-39(32-37)57-47-31-29-34-14-7-8-21-40(34)50(47)45-30-28-38(33-48(45)57)42-24-12-25-44-43-22-9-10-27-49(43)58-54(42)44/h1-33H.
What are the key properties of 9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole?
9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole has a molecular weight of 755.95 g/mol, XLogP of 14.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole is sourced from PubChem (CID 154952634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).