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

C144H87N9S3 — CID 159259344

IUPAC9-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
SMILESc1ccc(-c2cc3nccnc3cc2-n2c3cc(-c4cccc5c4sc4ccccc45)ccc3c3c4ccccc4ccc32)cc1.c1ccc(-c2nc3cccc(-c4cccc(-n5c6cc(-c7cccc8c7sc7ccccc78)ccc6c6c7ccccc7ccc65)c4)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cccc(-n4c5cc(-c6cccc7c6sc6ccccc67)ccc5c5c6ccccc6ccc54)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C54H33N3S.C48H29N3S.C42H25N3S/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;1-3-14-31(15-4-1)45-46(32-16-5-2-6-17-32)50-47-39(49-45)22-12-23-41(47)51-40-28-26-30-13-7-8-18-34(30)44(40)38-27-25-33(29-42(38)51)35-20-11-21-37-36-19-9-10-24-43(36)52-48(35)37;1-2-9-26(10-3-1)34-24-35-36(44-22-21-43-35)25-39(34)45-37-20-18-27-11-4-5-12-29(27)41(37)33-19-17-28(23-38(33)45)30-14-8-15-32-31-13-6-7-16-40(31)46-42(30)32/h1-33H;1-29H;1-25H
InChIKeyKWHPUPMNRSAGNR-UHFFFAOYSA-N
MW2039.54 g/mol
LogP39.75
Rot. Bonds12

About 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

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 (PubChem CID 159259344) has the molecular formula C144H87N9S3 and a molecular weight of 2039.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID159259344
Molecular FormulaC144H87N9S3
Molecular Weight2039.54 g/mol
Exact Mass2037.62
IUPAC Name9-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
SMILESc1ccc(-c2cc3nccnc3cc2-n2c3cc(-c4cccc5c4sc4ccccc45)ccc3c3c4ccccc4ccc32)cc1.c1ccc(-c2nc3cccc(-c4cccc(-n5c6cc(-c7cccc8c7sc7ccccc78)ccc6c6c7ccccc7ccc65)c4)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cccc(-n4c5cc(-c6cccc7c6sc6ccccc67)ccc5c5c6ccccc6ccc54)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C54H33N3S.C48H29N3S.C42H25N3S/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;1-3-14-31(15-4-1)45-46(32-16-5-2-6-17-32)50-47-39(49-45)22-12-23-41(47)51-40-28-26-30-13-7-8-18-34(30)44(40)38-27-25-33(29-42(38)51)35-20-11-21-37-36-19-9-10-24-43(36)52-48(35)37;1-2-9-26(10-3-1)34-24-35-36(44-22-21-43-35)25-39(34)45-37-20-18-27-11-4-5-12-29(27)41(37)33-19-17-28(23-38(33)45)30-14-8-15-32-31-13-6-7-16-40(31)46-42(30)32/h1-33H;1-29H;1-25H
InChIKeyKWHPUPMNRSAGNR-UHFFFAOYSA-N
XLogP39.75
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002039.54
LogP ≤ 539.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

9-dibenzothiophen-4-yl-7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]benzo[c]carbazole
CID 154952634
9-(2,3-diphenylquinoxalin-5-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;24-phenyl-9-(7-phenylquinoxalin-6-yl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 161101492
9-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 157137649
7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole
CID 159161950
7-(2,3-diphenylquinoxalin-5-yl)-9-phenylbenzo[c]carbazole
CID 154952692
9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole
CID 154952576
7-(2,3-diphenylquinoxalin-5-yl)-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole
CID 154952593
12-(2,3-diphenylquinoxalin-5-yl)-11-phenylindolo[2,3-a]carbazole;12-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-(7-phenylquinoxalin-6-yl)indolo[2,3-a]carbazole
CID 159573481
7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-N,N-diphenylbenzo[g]carbazol-9-amine
CID 154952571
5-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-2-phenylquinoxaline
CID 171724764
9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 160994373
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc3nccnc3cc2-n2c3cc(-c4cccc5c4sc4ccccc45)ccc3c3c4ccccc4ccc32)cc1.c1ccc(-c2nc3cccc(-c4cccc(-n5c6cc(-c7cccc8c7sc7ccccc78)ccc6c6c7ccccc7ccc65)c4)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cccc(-n4c5cc(-c6cccc7c6sc6ccccc67)ccc5c5c6ccccc6ccc54)c3nc2-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is KWHPUPMNRSAGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3S.C48H29N3S.C42H25N3S/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;1-3-14-31(15-4-1)45-46(32-16-5-2-6-17-32)50-47-39(49-45)22-12-23-41(47)51-40-28-26-30-13-7-8-18-34(30)44(40)38-27-25-33(29-42(38)51)35-20-11-21-37-36-19-9-10-24-43(36)52-48(35)37;1-2-9-26(10-3-1)34-24-35-36(44-22-21-43-35)25-39(34)45-37-20-18-27-11-4-5-12-29(27)41(37)33-19-17-28(23-38(33)45)30-14-8-15-32-31-13-6-7-16-40(31)46-42(30)32/h1-33H;1-29H;1-25H.
What are the key properties of 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?
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 has a molecular weight of 2039.54 g/mol, XLogP of 39.75, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159259344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).