N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine

C65H43NS — CID 170302327

IUPACN-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)cc1
InChIInChI=1S/C65H43NS/c1-4-20-44(21-5-1)50-31-16-22-46-23-17-33-53(62(46)50)52-28-11-14-36-58(52)66(49-42-40-45(41-43-49)51-32-18-39-61-63(51)55-30-12-15-38-60(55)67-61)59-37-19-35-57-64(59)54-29-10-13-34-56(54)65(57,47-24-6-2-7-25-47)48-26-8-3-9-27-48/h1-43H
InChIKeyDUPMHVCQQGCQIO-UHFFFAOYSA-N
MW870.13 g/mol
LogP18.04
Rot. Bonds8

About N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine

N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine (PubChem CID 170302327) has the molecular formula C65H43NS and a molecular weight of 870.13 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
PubChem CID170302327
Molecular FormulaC65H43NS
Molecular Weight870.13 g/mol
Exact Mass869.31
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)cc1
InChIInChI=1S/C65H43NS/c1-4-20-44(21-5-1)50-31-16-22-46-23-17-33-53(62(46)50)52-28-11-14-36-58(52)66(49-42-40-45(41-43-49)51-32-18-39-61-63(51)55-30-12-15-38-60(55)67-61)59-37-19-35-57-64(59)54-29-10-13-34-56(54)65(57,47-24-6-2-7-25-47)48-26-8-3-9-27-48/h1-43H
InChIKeyDUPMHVCQQGCQIO-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-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 172545021
N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine
CID 172544772
2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326123
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 168767241
N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine
CID 169285143
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 172544905
2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170302469
N-(2-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325374
N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 126538536
N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 166663845
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine
CID 168801881

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine (CID 170302327) is N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)cc1.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
The InChIKey is DUPMHVCQQGCQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NS/c1-4-20-44(21-5-1)50-31-16-22-46-23-17-33-53(62(46)50)52-28-11-14-36-58(52)66(49-42-40-45(41-43-49)51-32-18-39-61-63(51)55-30-12-15-38-60(55)67-61)59-37-19-35-57-64(59)54-29-10-13-34-56(54)65(57,47-24-6-2-7-25-47)48-26-8-3-9-27-48/h1-43H.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-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-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine is sourced from PubChem (CID 170302327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).