N-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine

C60H37NOS2 — CID 170666119

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2cccc(-c3c(-c4cccc5c4sc4ccccc45)cccc3N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C60H37NOS2/c1-2-15-38(16-3-1)39-17-10-19-41(35-39)58-48(51-28-13-27-50-46-22-5-9-32-56(46)64-60(50)51)25-14-29-53(58)61(43-33-34-57-52(37-43)47-23-6-8-31-55(47)63-57)42-20-11-18-40(36-42)44-24-12-26-49-45-21-4-7-30-54(45)62-59(44)49/h1-37H
InChIKeyJSETZZLFQWHUKD-UHFFFAOYSA-N
MW852.10 g/mol
LogP18.46
Rot. Bonds7

About N-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine

N-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine (PubChem CID 170666119) has the molecular formula C60H37NOS2 and a molecular weight of 852.10 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
PubChem CID170666119
Molecular FormulaC60H37NOS2
Molecular Weight852.10 g/mol
Exact Mass851.23
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2cccc(-c3c(-c4cccc5c4sc4ccccc45)cccc3N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C60H37NOS2/c1-2-15-38(16-3-1)39-17-10-19-41(35-39)58-48(51-28-13-27-50-46-22-5-9-32-56(46)64-60(50)51)25-14-29-53(58)61(43-33-34-57-52(37-43)47-23-6-8-31-55(47)63-57)42-20-11-18-40(36-42)44-24-12-26-49-45-21-4-7-30-54(45)62-59(44)49/h1-37H
InChIKeyJSETZZLFQWHUKD-UHFFFAOYSA-N
XLogP18.46
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.10
LogP ≤ 518.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788439
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 165006539
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164972461
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 164950013
N-[4-[3-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine;N-[4-[3-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzothiophen-2-amine;N-[4-[3-[4-(N-(4-phenoxyphenyl)anilino)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-phenyl-3-[3-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-2-[3-[2-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-phenyl-N-(4-phenylphenyl)-2-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 161129791
N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 160996301
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline;7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenylaniline
CID 160895838
3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170666001
4-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3,5-diphenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-amine;bis(N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-2-amine);N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 159591700
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline
CID 159600768
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424253
N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 159643698

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine (CID 170666119) is N-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine is c1ccc(-c2cccc(-c3c(-c4cccc5c4sc4ccccc45)cccc3N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4sc5ccccc5c4c3)c2)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine?
The InChIKey is JSETZZLFQWHUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NOS2/c1-2-15-38(16-3-1)39-17-10-19-41(35-39)58-48(51-28-13-27-50-46-22-5-9-32-56(46)64-60(50)51)25-14-29-53(58)61(43-33-34-57-52(37-43)47-23-6-8-31-55(47)63-57)42-20-11-18-40(36-42)44-24-12-26-49-45-21-4-7-30-54(45)62-59(44)49/h1-37H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine has a molecular weight of 852.10 g/mol, XLogP of 18.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-[3-dibenzothiophen-4-yl-2-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 170666119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).