N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine

C55H37NS — CID 166663845

IUPACN-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccc4sc5ccccc5c4c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C55H37NS/c1-4-17-38(18-5-1)39-31-34-43(35-32-39)56(50-28-14-11-23-44(50)40-33-36-53-47(37-40)45-24-12-15-30-52(45)57-53)51-29-16-27-49-54(51)46-25-10-13-26-48(46)55(49,41-19-6-2-7-20-41)42-21-8-3-9-22-42/h1-37H
InChIKeyTYJDENNFBHPHTQ-UHFFFAOYSA-N
MW743.98 g/mol
LogP15.22
Rot. Bonds7

About N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine

N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 166663845) has the molecular formula C55H37NS and a molecular weight of 743.98 g/mol. Its IUPAC name is N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID166663845
Molecular FormulaC55H37NS
Molecular Weight743.98 g/mol
Exact Mass743.26
IUPAC NameN-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccc4sc5ccccc5c4c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C55H37NS/c1-4-17-38(18-5-1)39-31-34-43(35-32-39)56(50-28-14-11-23-44(50)40-33-36-53-47(37-40)45-24-12-15-30-52(45)57-53)51-29-16-27-49-54(51)46-25-10-13-26-48(46)55(49,41-19-6-2-7-20-41)42-21-8-3-9-22-42/h1-37H
InChIKeyTYJDENNFBHPHTQ-UHFFFAOYSA-N
XLogP15.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.98
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177911
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325892
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424362
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424569
N-(4-dibenzothiophen-2-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840050
N-(2-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325374
N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424642
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424451
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine
CID 167324703
N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170302327
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine
CID 167176354

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine (CID 166663845) is N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine is c1ccc(-c2ccc(N(c3ccccc3-c3ccc4sc5ccccc5c4c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is TYJDENNFBHPHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NS/c1-4-17-38(18-5-1)39-31-34-43(35-32-39)56(50-28-14-11-23-44(50)40-33-36-53-47(37-40)45-24-12-15-30-52(45)57-53)51-29-16-27-49-54(51)46-25-10-13-26-48(46)55(49,41-19-6-2-7-20-41)42-21-8-3-9-22-42/h1-37H.
What are the key properties of N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?
N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 743.98 g/mol, XLogP of 15.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 166663845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).