About 8-[4-[3-[4-[2-naphthalen-2-yl-2-[8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)dibenzothiophen-2-yl]ethyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine
8-[4-[3-[4-[2-naphthalen-2-yl-2-[8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)dibenzothiophen-2-yl]ethyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 129178917) has the molecular formula C122H79N3S2
and a molecular weight of 1651.13 g/mol. Its IUPAC name is 8-[4-[3-[4-[2-naphthalen-2-yl-2-[8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)dibenzothiophen-2-yl]ethyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine.
Molecular Properties
| Compound Name | 8-[4-[3-[4-[2-naphthalen-2-yl-2-[8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)dibenzothiophen-2-yl]ethyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine |
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| PubChem CID | 129178917 |
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| Molecular Formula | C122H79N3S2 |
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| Molecular Weight | 1651.13 g/mol |
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| Exact Mass | 1649.57 |
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| IUPAC Name | 8-[4-[3-[4-[2-naphthalen-2-yl-2-[8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)dibenzothiophen-2-yl]ethyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine |
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| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(-c6cc(-c7cccc(-c8ccc(CC(c9ccc%10ccccc%10c9)c9ccc%10sc%11ccc(-c%12ccc%13c%14ccc%15ccccc%15c%14n(-c%14ccc%15ccccc%15c%14)c%13c%12)cc%11c%10c9)cc8)c7)c7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c7c6)cc5c4c3)cc2)cc1 |
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| InChI | InChI=1S/C122H79N3S2/c1-4-20-79(21-5-1)84-44-54-99(55-45-84)123(100-56-46-85(47-57-100)80-22-6-2-7-23-80)103-59-65-120-113(77-103)111-72-93(52-63-118(111)127-120)98-74-109(121-107-36-16-17-37-114(107)124(116(121)76-98)101-34-19-32-91(69-101)81-24-8-3-9-25-81)95-33-18-31-89(67-95)86-40-38-78(39-41-86)66-108(96-43-42-82-26-10-12-29-88(82)68-96)97-53-64-119-112(73-97)110-71-92(51-62-117(110)126-119)94-50-60-105-106-61-49-87-28-14-15-35-104(87)122(106)125(115(105)75-94)102-58-48-83-27-11-13-30-90(83)70-102/h1-65,67-77,108H,66H2 |
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| InChIKey | NQSJUVIUWRZPCL-UHFFFAOYSA-N |
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| XLogP | 34.59 |
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| TPSA | 13.10 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 16 |
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| Heavy Atoms | 127 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1651.13 |
| LogP ≤ 5 | 34.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze 8-[4-[3-[4-[2-naphthalen-2-yl-2-[8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)dibenzothiophen-2-yl]ethyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 8-[4-[3-[4-[2-naphthalen-2-yl-2-[8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)dibenzothiophen-2-yl]ethyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of 8-[4-[3-[4-[2-naphthalen-2-yl-2-[8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)dibenzothiophen-2-yl]ethyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine (CID 129178917) is 8-[4-[3-[4-[2-naphthalen-2-yl-2-[8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)dibenzothiophen-2-yl]ethyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for 8-[4-[3-[4-[2-naphthalen-2-yl-2-[8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)dibenzothiophen-2-yl]ethyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for 8-[4-[3-[4-[2-naphthalen-2-yl-2-[8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)dibenzothiophen-2-yl]ethyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(-c6cc(-c7cccc(-c8ccc(CC(c9ccc%10ccccc%10c9)c9ccc%10sc%11ccc(-c%12ccc%13c%14ccc%15ccccc%15c%14n(-c%14ccc%15ccccc%15c%14)c%13c%12)cc%11c%10c9)cc8)c7)c7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c7c6)cc5c4c3)cc2)cc1.
What is the InChIKey of 8-[4-[3-[4-[2-naphthalen-2-yl-2-[8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)dibenzothiophen-2-yl]ethyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is NQSJUVIUWRZPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H79N3S2/c1-4-20-79(21-5-1)84-44-54-99(55-45-84)123(100-56-46-85(47-57-100)80-22-6-2-7-23-80)103-59-65-120-113(77-103)111-72-93(52-63-118(111)127-120)98-74-109(121-107-36-16-17-37-114(107)124(116(121)76-98)101-34-19-32-91(69-101)81-24-8-3-9-25-81)95-33-18-31-89(67-95)86-40-38-78(39-41-86)66-108(96-43-42-82-26-10-12-29-88(82)68-96)97-53-64-119-112(73-97)110-71-92(51-62-117(110)126-119)94-50-60-105-106-61-49-87-28-14-15-35-104(87)122(106)125(115(105)75-94)102-58-48-83-27-11-13-30-90(83)70-102/h1-65,67-77,108H,66H2.
What are the key properties of 8-[4-[3-[4-[2-naphthalen-2-yl-2-[8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)dibenzothiophen-2-yl]ethyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine?
8-[4-[3-[4-[2-naphthalen-2-yl-2-[8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)dibenzothiophen-2-yl]ethyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 1651.13 g/mol, XLogP of 34.59, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-[4-[2-naphthalen-2-yl-2-[8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)dibenzothiophen-2-yl]ethyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 129178917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).