2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole

C172H102N6S3 — CID 159490163

IUPAC2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc32)c1.c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7c6sc6ccccc67)cc54)ccc-2c13.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc7)c6c5)ccc43)cc12
InChIInChI=1S/2C60H36N2S.C52H30N2S/c1-2-16-45-43(14-1)44-15-3-4-17-46(44)52-33-38(24-28-47(45)52)37-12-11-13-41(32-37)62-55-21-8-5-18-48(55)50-29-25-40(35-58(50)62)39-26-30-57-53(34-39)49-19-6-9-22-56(49)61(57)42-27-31-60-54(36-42)51-20-7-10-23-59(51)63-60;1-2-13-45-43(11-1)44-12-3-4-14-46(44)52-33-38(23-29-47(45)52)37-21-26-41(27-22-37)61-55-18-8-5-15-48(55)50-30-24-40(35-58(50)61)39-25-31-57-53(34-39)49-16-6-9-19-56(49)62(57)42-28-32-60-54(36-42)51-17-7-10-20-59(51)63-60;1-2-12-34-33(11-1)39-16-9-18-42-46(28-26-40(34)51(39)42)54-44-19-6-3-13-35(44)37-25-23-32(30-49(37)54)31-24-27-47-43(29-31)36-14-4-7-20-45(36)53(47)48-21-10-17-41-38-15-5-8-22-50(38)55-52(41)48/h2*1-36H;1-30H
InChIKeyLYBYBTYHNDUTNH-UHFFFAOYSA-N
MW2348.95 g/mol
LogP48.80
Rot. Bonds11

About 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole

2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole (PubChem CID 159490163) has the molecular formula C172H102N6S3 and a molecular weight of 2348.95 g/mol. Its IUPAC name is 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole.

Molecular Properties

Compound Name2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
PubChem CID159490163
Molecular FormulaC172H102N6S3
Molecular Weight2348.95 g/mol
Exact Mass2346.73
IUPAC Name2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc32)c1.c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7c6sc6ccccc67)cc54)ccc-2c13.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc7)c6c5)ccc43)cc12
InChIInChI=1S/2C60H36N2S.C52H30N2S/c1-2-16-45-43(14-1)44-15-3-4-17-46(44)52-33-38(24-28-47(45)52)37-12-11-13-41(32-37)62-55-21-8-5-18-48(55)50-29-25-40(35-58(50)62)39-26-30-57-53(34-39)49-19-6-9-22-56(49)61(57)42-27-31-60-54(36-42)51-20-7-10-23-59(51)63-60;1-2-13-45-43(11-1)44-12-3-4-14-46(44)52-33-38(23-29-47(45)52)37-21-26-41(27-22-37)61-55-18-8-5-15-48(55)50-30-24-40(35-58(50)61)39-25-31-57-53(34-39)49-16-6-9-19-56(49)62(57)42-28-32-60-54(36-42)51-17-7-10-20-59(51)63-60;1-2-12-34-33(11-1)39-16-9-18-42-46(28-26-40(34)51(39)42)54-44-19-6-3-13-35(44)37-25-23-32(30-49(37)54)31-24-27-47-43(29-31)36-14-4-7-20-45(36)53(47)48-21-10-17-41-38-15-5-8-22-50(38)55-52(41)48/h2*1-36H;1-30H
InChIKeyLYBYBTYHNDUTNH-UHFFFAOYSA-N
XLogP48.80
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms181
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002348.95
LogP ≤ 548.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole with MolForge

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Related Compounds

2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 166807262
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951
5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;9-phenyl-3-triphenylen-2-ylcarbazole;9-(3-triphenylen-2-ylphenyl)carbazole
CID 160956728
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole?
The IUPAC name of 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole (CID 159490163) is 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole.
What is the SMILES notation for 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole?
The canonical SMILES for 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc32)c1.c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7c6sc6ccccc67)cc54)ccc-2c13.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc7)c6c5)ccc43)cc12.
What is the InChIKey of 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole?
The InChIKey is LYBYBTYHNDUTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H36N2S.C52H30N2S/c1-2-16-45-43(14-1)44-15-3-4-17-46(44)52-33-38(24-28-47(45)52)37-12-11-13-41(32-37)62-55-21-8-5-18-48(55)50-29-25-40(35-58(50)62)39-26-30-57-53(34-39)49-19-6-9-22-56(49)61(57)42-27-31-60-54(36-42)51-20-7-10-23-59(51)63-60;1-2-13-45-43(11-1)44-12-3-4-14-46(44)52-33-38(23-29-47(45)52)37-21-26-41(27-22-37)61-55-18-8-5-15-48(55)50-30-24-40(35-58(50)61)39-25-31-57-53(34-39)49-16-6-9-19-56(49)62(57)42-28-32-60-54(36-42)51-17-7-10-20-59(51)63-60;1-2-12-34-33(11-1)39-16-9-18-42-46(28-26-40(34)51(39)42)54-44-19-6-3-13-35(44)37-25-23-32(30-49(37)54)31-24-27-47-43(29-31)36-14-4-7-20-45(36)53(47)48-21-10-17-41-38-15-5-8-22-50(38)55-52(41)48/h2*1-36H;1-30H.
What are the key properties of 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole?
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole has a molecular weight of 2348.95 g/mol, XLogP of 48.80, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole is sourced from PubChem (CID 159490163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).