About 2-[5-[4-[3-dibenzofuran-3-yl-2-[2-[4-[4-[3-dibenzothiophen-3-yl-2-(2-naphthalen-2-ylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]triphenylen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole
2-[5-[4-[3-dibenzofuran-3-yl-2-[2-[4-[4-[3-dibenzothiophen-3-yl-2-(2-naphthalen-2-ylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]triphenylen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole (PubChem CID 146542434) has the molecular formula C163H97N9OS
and a molecular weight of 2229.70 g/mol. Its IUPAC name is 2-[5-[4-[3-dibenzofuran-3-yl-2-[2-[4-[4-[3-dibenzothiophen-3-yl-2-(2-naphthalen-2-ylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]triphenylen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole.
Molecular Properties
| Compound Name | 2-[5-[4-[3-dibenzofuran-3-yl-2-[2-[4-[4-[3-dibenzothiophen-3-yl-2-(2-naphthalen-2-ylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]triphenylen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole |
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| PubChem CID | 146542434 |
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| Molecular Formula | C163H97N9OS |
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| Molecular Weight | 2229.70 g/mol |
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| Exact Mass | 2227.75 |
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| IUPAC Name | 2-[5-[4-[3-dibenzofuran-3-yl-2-[2-[4-[4-[3-dibenzothiophen-3-yl-2-(2-naphthalen-2-ylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]triphenylen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole |
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| SMILES | CC1(C)c2ccccc2-c2ccc(-c3nc4cc(-c5ccccc5)ccc4nc3-n3c4ccc(-c5cccc6c7c(-c8ccc(-c9ccc%10nc(-n%11c%12ccc(-c%13ccc(-c%14ccc(-c%15ccc%16nc(-n%17c%18ccc(-c%19ccc%20ccccc%20c%19)cc%18c%18cc%19ccccc%19cc%18%17)c(-c%17ccc%18c(c%17)sc%17ccccc%17%18)nc%16c%15)cc%14)cc%13)cc%12c%12cc%13ccccc%13cc%12%11)c(-c%11ccc%12c(c%11)oc%11ccccc%11%12)nc%10c9)cc8)cccc7c7ccccc7c56)cc4c4cc5ccccc5cc43)cc21 |
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| InChI | InChI=1S/C163H97N9OS/c1-163(2)137-43-19-16-35-122(137)123-69-60-116(85-138(123)163)157-160(167-139-72-63-112(86-142(139)164-157)94-24-4-3-5-25-94)172-147-77-68-115(84-133(147)136-81-105-30-10-13-33-108(105)91-150(136)172)120-40-23-42-130-155-119(39-22-41-129(155)121-34-14-15-38-128(121)156(120)130)101-57-54-100(55-58-101)114-65-74-140-143(88-114)165-158(117-61-70-125-124-36-17-20-44-151(124)173-152(125)92-117)161(168-140)170-145-75-66-110(82-131(145)134-79-103-28-8-11-31-106(103)89-148(134)170)98-50-46-96(47-51-98)97-48-52-99(53-49-97)113-64-73-141-144(87-113)166-159(118-62-71-127-126-37-18-21-45-153(126)174-154(127)93-118)162(169-141)171-146-76-67-111(109-59-56-95-26-6-7-27-102(95)78-109)83-132(146)135-80-104-29-9-12-32-107(104)90-149(135)171/h3-93H,1-2H3 |
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| InChIKey | ZANRLZBOCYVIQJ-UHFFFAOYSA-N |
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| XLogP | 43.79 |
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| TPSA | 105.27 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 174 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 2229.70 |
| LogP ≤ 5 | 43.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Analyze 2-[5-[4-[3-dibenzofuran-3-yl-2-[2-[4-[4-[3-dibenzothiophen-3-yl-2-(2-naphthalen-2-ylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]triphenylen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[5-[4-[3-dibenzofuran-3-yl-2-[2-[4-[4-[3-dibenzothiophen-3-yl-2-(2-naphthalen-2-ylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]triphenylen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole?
The IUPAC name of 2-[5-[4-[3-dibenzofuran-3-yl-2-[2-[4-[4-[3-dibenzothiophen-3-yl-2-(2-naphthalen-2-ylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]triphenylen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole (CID 146542434) is 2-[5-[4-[3-dibenzofuran-3-yl-2-[2-[4-[4-[3-dibenzothiophen-3-yl-2-(2-naphthalen-2-ylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]triphenylen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 2-[5-[4-[3-dibenzofuran-3-yl-2-[2-[4-[4-[3-dibenzothiophen-3-yl-2-(2-naphthalen-2-ylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]triphenylen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole?
The canonical SMILES for 2-[5-[4-[3-dibenzofuran-3-yl-2-[2-[4-[4-[3-dibenzothiophen-3-yl-2-(2-naphthalen-2-ylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]triphenylen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc4cc(-c5ccccc5)ccc4nc3-n3c4ccc(-c5cccc6c7c(-c8ccc(-c9ccc%10nc(-n%11c%12ccc(-c%13ccc(-c%14ccc(-c%15ccc%16nc(-n%17c%18ccc(-c%19ccc%20ccccc%20c%19)cc%18c%18cc%19ccccc%19cc%18%17)c(-c%17ccc%18c(c%17)sc%17ccccc%17%18)nc%16c%15)cc%14)cc%13)cc%12c%12cc%13ccccc%13cc%12%11)c(-c%11ccc%12c(c%11)oc%11ccccc%11%12)nc%10c9)cc8)cccc7c7ccccc7c56)cc4c4cc5ccccc5cc43)cc21.
What is the InChIKey of 2-[5-[4-[3-dibenzofuran-3-yl-2-[2-[4-[4-[3-dibenzothiophen-3-yl-2-(2-naphthalen-2-ylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]triphenylen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole?
The InChIKey is ZANRLZBOCYVIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C163H97N9OS/c1-163(2)137-43-19-16-35-122(137)123-69-60-116(85-138(123)163)157-160(167-139-72-63-112(86-142(139)164-157)94-24-4-3-5-25-94)172-147-77-68-115(84-133(147)136-81-105-30-10-13-33-108(105)91-150(136)172)120-40-23-42-130-155-119(39-22-41-129(155)121-34-14-15-38-128(121)156(120)130)101-57-54-100(55-58-101)114-65-74-140-143(88-114)165-158(117-61-70-125-124-36-17-20-44-151(124)173-152(125)92-117)161(168-140)170-145-75-66-110(82-131(145)134-79-103-28-8-11-31-106(103)89-148(134)170)98-50-46-96(47-51-98)97-48-52-99(53-49-97)113-64-73-141-144(87-113)166-159(118-62-71-127-126-37-18-21-45-153(126)174-154(127)93-118)162(169-141)171-146-76-67-111(109-59-56-95-26-6-7-27-102(95)78-109)83-132(146)135-80-104-29-9-12-32-107(104)90-149(135)171/h3-93H,1-2H3.
What are the key properties of 2-[5-[4-[3-dibenzofuran-3-yl-2-[2-[4-[4-[3-dibenzothiophen-3-yl-2-(2-naphthalen-2-ylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]triphenylen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole?
2-[5-[4-[3-dibenzofuran-3-yl-2-[2-[4-[4-[3-dibenzothiophen-3-yl-2-(2-naphthalen-2-ylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]triphenylen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole has a molecular weight of 2229.70 g/mol, XLogP of 43.79, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[3-dibenzofuran-3-yl-2-[2-[4-[4-[3-dibenzothiophen-3-yl-2-(2-naphthalen-2-ylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]triphenylen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146542434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).