N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine

C59H39NS — CID 167324649

IUPACN-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4ccc5sc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C59H39NS/c1-3-18-43(19-4-1)59(44-20-5-2-6-21-44)54-27-12-9-24-50(54)51-36-35-46(39-55(51)59)60(45-33-30-41(31-34-45)48-26-15-17-40-16-7-8-22-47(40)48)56-28-13-10-23-49(56)42-32-37-58-53(38-42)52-25-11-14-29-57(52)61-58/h1-39H
InChIKeySKOFDPMZGQJWST-UHFFFAOYSA-N
MW794.04 g/mol
LogP16.37
Rot. Bonds7

About N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine

N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 167324649) has the molecular formula C59H39NS and a molecular weight of 794.04 g/mol. Its IUPAC name is N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
PubChem CID167324649
Molecular FormulaC59H39NS
Molecular Weight794.04 g/mol
Exact Mass793.28
IUPAC NameN-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4ccc5sc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C59H39NS/c1-3-18-43(19-4-1)59(44-20-5-2-6-21-44)54-27-12-9-24-50(54)51-36-35-46(39-55(51)59)60(45-33-30-41(31-34-45)48-26-15-17-40-16-7-8-22-47(40)48)56-28-13-10-23-49(56)42-32-37-58-53(38-42)52-25-11-14-29-57(52)61-58/h1-39H
InChIKeySKOFDPMZGQJWST-UHFFFAOYSA-N
XLogP16.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.04
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767225
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177114095
N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118298589
2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326289
N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177114131
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 168846173
N-(4-dibenzothiophen-2-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840050
N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 166012362
N-(2-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325374
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326130
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 122675379
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine
CID 122675269

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine (CID 167324649) is N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4ccc5sc6ccccc6c5c4)cc32)cc1.
What is the InChIKey of N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
The InChIKey is SKOFDPMZGQJWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NS/c1-3-18-43(19-4-1)59(44-20-5-2-6-21-44)54-27-12-9-24-50(54)51-36-35-46(39-55(51)59)60(45-33-30-41(31-34-45)48-26-15-17-40-16-7-8-22-47(40)48)56-28-13-10-23-49(56)42-32-37-58-53(38-42)52-25-11-14-29-57(52)61-58/h1-39H.
What are the key properties of N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 794.04 g/mol, XLogP of 16.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 167324649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).