N-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine

C61H41NS — CID 168789279

IUPACN-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C61H41NS/c1-5-22-42(23-6-1)46-30-13-14-32-49(46)58-47(43-24-7-2-8-25-43)34-19-38-54(58)62(56-40-20-35-50-48-31-16-18-41-57(48)63-60(50)56)55-39-21-37-53-59(55)51-33-15-17-36-52(51)61(53,44-26-9-3-10-27-44)45-28-11-4-12-29-45/h1-41H
InChIKeyZECVLNRNAQAQCC-UHFFFAOYSA-N
MW820.07 g/mol
LogP16.89
Rot. Bonds8

About N-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine

N-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 168789279) has the molecular formula C61H41NS and a molecular weight of 820.07 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID168789279
Molecular FormulaC61H41NS
Molecular Weight820.07 g/mol
Exact Mass819.30
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C61H41NS/c1-5-22-42(23-6-1)46-30-13-14-32-49(46)58-47(43-24-7-2-8-25-43)34-19-38-54(58)62(56-40-20-35-50-48-31-16-18-41-57(48)63-60(50)56)55-39-21-37-53-59(55)51-33-15-17-36-52(51)61(53,44-26-9-3-10-27-44)45-28-11-4-12-29-45/h1-41H
InChIKeyZECVLNRNAQAQCC-UHFFFAOYSA-N
XLogP16.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.07
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-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-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789332
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424362
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine
CID 121423516
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine
CID 177121684
N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424642
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424347
N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-4-amine
CID 164956471
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789139
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121381523
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423435
1-N-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-4-yl)-1-N-phenyl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 155096793

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 168789279) is N-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is ZECVLNRNAQAQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NS/c1-5-22-42(23-6-1)46-30-13-14-32-49(46)58-47(43-24-7-2-8-25-43)34-19-38-54(58)62(56-40-20-35-50-48-31-16-18-41-57(48)63-60(50)56)55-39-21-37-53-59(55)51-33-15-17-36-52(51)61(53,44-26-9-3-10-27-44)45-28-11-4-12-29-45/h1-41H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
N-(9,9-diphenylfluoren-4-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 820.07 g/mol, XLogP of 16.89, 8 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-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 168789279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).