N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine

C65H43NS — CID 168767715

IUPACN-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4)c4ccccc4-c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C65H43NS/c1-3-24-48(25-4-1)65(49-26-5-2-6-27-49)60-36-12-9-30-55(60)56-40-39-51(43-61(56)65)66(62-37-13-10-31-57(62)54-34-17-20-44-19-7-8-29-52(44)54)50-28-16-22-46(42-50)45-21-15-23-47(41-45)53-33-18-35-59-58-32-11-14-38-63(58)67-64(53)59/h1-43H
InChIKeyYKCWSYKVNRKFMN-UHFFFAOYSA-N
MW870.13 g/mol
LogP18.04
Rot. Bonds8

About N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine

N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 168767715) has the molecular formula C65H43NS and a molecular weight of 870.13 g/mol. Its IUPAC name is N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
PubChem CID168767715
Molecular FormulaC65H43NS
Molecular Weight870.13 g/mol
Exact Mass869.31
IUPAC NameN-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4)c4ccccc4-c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C65H43NS/c1-3-24-48(25-4-1)65(49-26-5-2-6-27-49)60-36-12-9-30-55(60)56-40-39-51(43-61(56)65)66(62-37-13-10-31-57(62)54-34-17-20-44-19-7-8-29-52(44)54)50-28-16-22-46(42-50)45-21-15-23-47(41-45)53-33-18-35-59-58-32-11-14-38-63(58)67-64(53)59/h1-43H
InChIKeyYKCWSYKVNRKFMN-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

Analyze N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine with MolForge

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Related Compounds

N-(3-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 118405991
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170302520
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326289
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-(3-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168766671
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine
CID 121423581
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168767516
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847919
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675309
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122675301

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine (CID 168767715) is N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4)c4ccccc4-c4cccc5ccccc45)cc32)cc1.
What is the InChIKey of N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
The InChIKey is YKCWSYKVNRKFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NS/c1-3-24-48(25-4-1)65(49-26-5-2-6-27-49)60-36-12-9-30-55(60)56-40-39-51(43-61(56)65)66(62-37-13-10-31-57(62)54-34-17-20-44-19-7-8-29-52(44)54)50-28-16-22-46(42-50)45-21-15-23-47(41-45)53-33-18-35-59-58-32-11-14-38-63(58)67-64(53)59/h1-43H.
What are the key properties of N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine?
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine 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 N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(2-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 168767715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).