N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline

C60H37NO2S — CID 164835607

IUPACN,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline
SMILESc1cc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C60H37NO2S/c1-4-20-53-51(14-1)58-46(16-9-22-55(58)62-53)39-27-33-44(34-28-39)61(45-35-29-40(30-36-45)47-17-10-23-56-59(47)52-15-2-5-21-54(52)63-56)43-31-25-38(26-32-43)41-11-7-12-42(37-41)48-18-8-19-50-49-13-3-6-24-57(49)64-60(48)50/h1-37H
InChIKeyPBMGHURXHBJDHN-UHFFFAOYSA-N
MW836.03 g/mol
LogP17.99
Rot. Bonds7

About N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline

N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline (PubChem CID 164835607) has the molecular formula C60H37NO2S and a molecular weight of 836.03 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline
PubChem CID164835607
Molecular FormulaC60H37NO2S
Molecular Weight836.03 g/mol
Exact Mass835.25
IUPAC NameN,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline
SMILESc1cc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C60H37NO2S/c1-4-20-53-51(14-1)58-46(16-9-22-55(58)62-53)39-27-33-44(34-28-39)61(45-35-29-40(30-36-45)47-17-10-23-56-59(47)52-15-2-5-21-54(52)63-56)43-31-25-38(26-32-43)41-11-7-12-42(37-41)48-18-8-19-50-49-13-3-6-24-57(49)64-60(48)50/h1-37H
InChIKeyPBMGHURXHBJDHN-UHFFFAOYSA-N
XLogP17.99
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.03
LogP ≤ 517.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 168766676
N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767519
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-(3-dibenzothiophen-4-ylphenyl)aniline
CID 118428359
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
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-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159820333
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline
CID 170278959
3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428297
N-(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835622

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline?
The IUPAC name of N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline (CID 164835607) is N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline.
What is the SMILES notation for N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline?
The canonical SMILES for N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline is c1cc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline?
The InChIKey is PBMGHURXHBJDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO2S/c1-4-20-53-51(14-1)58-46(16-9-22-55(58)62-53)39-27-33-44(34-28-39)61(45-35-29-40(30-36-45)47-17-10-23-56-59(47)52-15-2-5-21-54(52)63-56)43-31-25-38(26-32-43)41-11-7-12-42(37-41)48-18-8-19-50-49-13-3-6-24-57(49)64-60(48)50/h1-37H.
What are the key properties of N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline?
N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline has a molecular weight of 836.03 g/mol, XLogP of 17.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline is sourced from PubChem (CID 164835607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).