N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline

C56H37NOS — CID 58568929

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline
SMILESC=Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H37NOS/c1-2-37-17-19-38(20-18-37)39-21-23-40(24-22-39)41-25-31-44(32-26-41)57(45-33-27-42(28-34-45)47-11-7-13-51-49-9-3-5-15-53(49)58-55(47)51)46-35-29-43(30-36-46)48-12-8-14-52-50-10-4-6-16-54(50)59-56(48)52/h2-36H,1H2
InChIKeyRZAJENWDBJXOOM-UHFFFAOYSA-N
MW771.99 g/mol
LogP16.73
Rot. Bonds8

About N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline

N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline (PubChem CID 58568929) has the molecular formula C56H37NOS and a molecular weight of 771.99 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline
PubChem CID58568929
Molecular FormulaC56H37NOS
Molecular Weight771.99 g/mol
Exact Mass771.26
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline
SMILESC=Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H37NOS/c1-2-37-17-19-38(20-18-37)39-21-23-40(24-22-39)41-25-31-44(32-26-41)57(45-33-27-42(28-34-45)47-11-7-13-51-49-9-3-5-15-53(49)58-55(47)51)46-35-29-43(30-36-46)48-12-8-14-52-50-10-4-6-16-54(50)59-56(48)52/h2-36H,1H2
InChIKeyRZAJENWDBJXOOM-UHFFFAOYSA-N
XLogP16.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.99
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline
CID 58568905
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 154961714
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline
CID 58568876
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 158012362
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-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]aniline
CID 140919340
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
4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381304
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159541648
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline
CID 169280461

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline (CID 58568929) is N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline is C=Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline?
The InChIKey is RZAJENWDBJXOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NOS/c1-2-37-17-19-38(20-18-37)39-21-23-40(24-22-39)41-25-31-44(32-26-41)57(45-33-27-42(28-34-45)47-11-7-13-51-49-9-3-5-15-53(49)58-55(47)51)46-35-29-43(30-36-46)48-12-8-14-52-50-10-4-6-16-54(50)59-56(48)52/h2-36H,1H2.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline?
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline has a molecular weight of 771.99 g/mol, XLogP of 16.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline is sourced from PubChem (CID 58568929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).