2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline

C65H43NS — CID 167326289

IUPAC2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5-c5cccc6c5sc5ccccc56)cc4)cc32)cc1
InChIInChI=1S/C65H43NS/c1-3-19-48(20-4-1)65(49-21-5-2-6-22-49)60-30-12-9-24-54(60)55-42-37-47(43-61(55)65)44-33-38-50(39-34-44)66(51-40-35-46(36-41-51)53-27-15-18-45-17-7-8-23-52(45)53)62-31-13-10-25-56(62)58-28-16-29-59-57-26-11-14-32-63(57)67-64(58)59/h1-43H
InChIKeyWRSXKPOGDJLBIU-UHFFFAOYSA-N
MW870.13 g/mol
LogP18.04
Rot. Bonds8

About 2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline

2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 167326289) has the molecular formula C65H43NS and a molecular weight of 870.13 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID167326289
Molecular FormulaC65H43NS
Molecular Weight870.13 g/mol
Exact Mass869.31
IUPAC Name2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5-c5cccc6c5sc5ccccc56)cc4)cc32)cc1
InChIInChI=1S/C65H43NS/c1-3-19-48(20-4-1)65(49-21-5-2-6-22-49)60-30-12-9-24-54(60)55-42-37-47(43-61(55)65)44-33-38-50(39-34-44)66(51-40-35-46(36-41-51)53-27-15-18-45-17-7-8-23-52(45)53)62-31-13-10-25-56(62)58-28-16-29-59-57-26-11-14-32-63(57)67-64(58)59/h1-43H
InChIKeyWRSXKPOGDJLBIU-UHFFFAOYSA-N
XLogP18.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.13
LogP ≤ 518.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177114095
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170302520
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 168847706
2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 167326040
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847833
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767715
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566059
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675309
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324649
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675334
N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 147331845

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline (CID 167326289) is 2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5-c5cccc6c5sc5ccccc56)cc4)cc32)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is WRSXKPOGDJLBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NS/c1-3-19-48(20-4-1)65(49-21-5-2-6-22-49)60-30-12-9-24-54(60)55-42-37-47(43-61(55)65)44-33-38-50(39-34-44)66(51-40-35-46(36-41-51)53-27-15-18-45-17-7-8-23-52(45)53)62-31-13-10-25-56(62)58-28-16-29-59-57-26-11-14-32-63(57)67-64(58)59/h1-43H.
What are the key properties of 2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 870.13 g/mol, XLogP of 18.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 167326289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).