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

C71H47NS — CID 172544772

IUPACN-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8cccc9ccccc89)cc7)cc6)cc5)cc4)c4cccc5sc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C71H47NS/c1-3-18-56(19-4-1)71(57-20-5-2-6-21-57)63-26-11-9-23-61(63)69-64(71)27-14-28-65(69)72(66-29-15-31-68-70(66)62-24-10-12-30-67(62)73-68)58-46-44-53(45-47-58)51-38-36-49(37-39-51)48-32-34-50(35-33-48)52-40-42-55(43-41-52)60-25-13-17-54-16-7-8-22-59(54)60/h1-47H
InChIKeyBGLOQOTYFMQLIJ-UHFFFAOYSA-N
MW946.23 g/mol
LogP19.71
Rot. Bonds9

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

N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine (PubChem CID 172544772) has the molecular formula C71H47NS and a molecular weight of 946.23 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine
PubChem CID172544772
Molecular FormulaC71H47NS
Molecular Weight946.23 g/mol
Exact Mass945.34
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8cccc9ccccc89)cc7)cc6)cc5)cc4)c4cccc5sc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C71H47NS/c1-3-18-56(19-4-1)71(57-20-5-2-6-21-57)63-26-11-9-23-61(63)69-64(71)27-14-28-65(69)72(66-29-15-31-68-70(66)62-24-10-12-30-67(62)73-68)58-46-44-53(45-47-58)51-38-36-49(37-39-51)48-32-34-50(35-33-48)52-40-42-55(43-41-52)60-25-13-17-54-16-7-8-22-59(54)60/h1-47H
InChIKeyBGLOQOTYFMQLIJ-UHFFFAOYSA-N
XLogP19.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.23
LogP ≤ 519.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-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-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 172545021
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 172544905
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 168767241
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-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]fluoren-4-amine;N-[4-(4-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[4-(4-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 158452934
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
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
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine
CID 138484712

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine (CID 172544772) is N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8cccc9ccccc89)cc7)cc6)cc5)cc4)c4cccc5sc6ccccc6c45)cccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine?
The InChIKey is BGLOQOTYFMQLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47NS/c1-3-18-56(19-4-1)71(57-20-5-2-6-21-57)63-26-11-9-23-61(63)69-64(71)27-14-28-65(69)72(66-29-15-31-68-70(66)62-24-10-12-30-67(62)73-68)58-46-44-53(45-47-58)51-38-36-49(37-39-51)48-32-34-50(35-33-48)52-40-42-55(43-41-52)60-25-13-17-54-16-7-8-22-59(54)60/h1-47H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine?
N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine has a molecular weight of 946.23 g/mol, XLogP of 19.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 172544772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).