N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine

C59H39NS — CID 168767241

IUPACN-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc(-c5cccc6sc7ccccc7c56)c4)cccc32)cc1
InChIInChI=1S/C59H39NS/c1-3-20-43(21-4-1)59(44-22-5-2-6-23-44)52-30-11-9-26-50(52)58-53(59)31-16-32-54(58)60(45-37-35-41(36-38-45)48-28-14-18-40-17-7-8-25-47(40)48)46-24-13-19-42(39-46)49-29-15-34-56-57(49)51-27-10-12-33-55(51)61-56/h1-39H
InChIKeyNRKVZLJYAPKBOV-UHFFFAOYSA-N
MW794.04 g/mol
LogP16.37
Rot. Bonds7

About N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine

N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 168767241) has the molecular formula C59H39NS and a molecular weight of 794.04 g/mol. Its IUPAC name is N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID168767241
Molecular FormulaC59H39NS
Molecular Weight794.04 g/mol
Exact Mass793.28
IUPAC NameN-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc(-c5cccc6sc7ccccc7c56)c4)cccc32)cc1
InChIInChI=1S/C59H39NS/c1-3-20-43(21-4-1)59(44-22-5-2-6-23-44)52-30-11-9-26-50(52)58-53(59)31-16-32-54(58)60(45-37-35-41(36-38-45)48-28-14-18-40-17-7-8-25-47(40)48)46-24-13-19-42(39-46)49-29-15-34-56-57(49)51-27-10-12-33-55(51)61-56/h1-39H
InChIKeyNRKVZLJYAPKBOV-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-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 168767644
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
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine
CID 169285143
2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326123
N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170302327
N-(2-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325374
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 168767241) is N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc(-c5cccc6sc7ccccc7c56)c4)cccc32)cc1.
What is the InChIKey of N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is NRKVZLJYAPKBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NS/c1-3-20-43(21-4-1)59(44-22-5-2-6-23-44)52-30-11-9-26-50(52)58-53(59)31-16-32-54(58)60(45-37-35-41(36-38-45)48-28-14-18-40-17-7-8-25-47(40)48)46-24-13-19-42(39-46)49-29-15-34-56-57(49)51-27-10-12-33-55(51)61-56/h1-39H.
What are the key properties of N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-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-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 168767241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).