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

C59H39NS — CID 168767644

IUPACN-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)c4cccc(-c5cccc6ccccc56)c4)cccc32)cc1
InChIInChI=1S/C59H39NS/c1-3-21-44(22-4-1)59(45-23-5-2-6-24-45)53-31-11-9-29-52(53)58-54(59)32-16-33-55(58)60(47-26-14-20-43(38-47)49-30-15-18-40-17-7-8-27-48(40)49)46-25-13-19-41(37-46)42-35-36-51-50-28-10-12-34-56(50)61-57(51)39-42/h1-39H
InChIKeyZNQYVOLKTHKYOX-UHFFFAOYSA-N
MW794.04 g/mol
LogP16.37
Rot. Bonds7

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

N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 168767644) has the molecular formula C59H39NS and a molecular weight of 794.04 g/mol. Its IUPAC name is N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID168767644
Molecular FormulaC59H39NS
Molecular Weight794.04 g/mol
Exact Mass793.28
IUPAC NameN-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)c4cccc(-c5cccc6ccccc56)c4)cccc32)cc1
InChIInChI=1S/C59H39NS/c1-3-21-44(22-4-1)59(45-23-5-2-6-24-45)53-31-11-9-29-52(53)58-54(59)32-16-33-55(58)60(47-26-14-20-43(38-47)49-30-15-18-40-17-7-8-27-48(40)49)46-25-13-19-41(37-46)42-35-36-51-50-28-10-12-34-56(50)61-57(51)39-42/h1-39H
InChIKeyZNQYVOLKTHKYOX-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 168767241
N-(2-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325374
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine
CID 167324703
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019623
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 168846173
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424569
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767225
N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine
CID 163963486

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 168767644) is N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)c4cccc(-c5cccc6ccccc56)c4)cccc32)cc1.
What is the InChIKey of N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is ZNQYVOLKTHKYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NS/c1-3-21-44(22-4-1)59(45-23-5-2-6-24-45)53-31-11-9-29-52(53)58-54(59)32-16-33-55(58)60(47-26-14-20-43(38-47)49-30-15-18-40-17-7-8-27-48(40)49)46-25-13-19-41(37-46)42-35-36-51-50-28-10-12-34-56(50)61-57(51)39-42/h1-39H.
What are the key properties of N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
N-(3-dibenzothiophen-3-ylphenyl)-N-(3-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-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 168767644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).