5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine

C54H36N2OS — CID 122551974

IUPAC5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cccc5oc6ccccc6c45)cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C54H36N2OS/c1-4-15-37(16-5-1)38-27-29-42(30-28-38)55(40-17-6-2-7-18-40)44-33-39(46-23-14-25-51-54(46)48-22-10-12-24-50(48)57-51)34-45(35-44)56(41-19-8-3-9-20-41)43-31-32-53-49(36-43)47-21-11-13-26-52(47)58-53/h1-36H
InChIKeyFPISBJHKTITMIC-UHFFFAOYSA-N
MW760.96 g/mol
LogP16.23
Rot. Bonds8

About 5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine

5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 122551974) has the molecular formula C54H36N2OS and a molecular weight of 760.96 g/mol. Its IUPAC name is 5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
PubChem CID122551974
Molecular FormulaC54H36N2OS
Molecular Weight760.96 g/mol
Exact Mass760.25
IUPAC Name5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cccc5oc6ccccc6c45)cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C54H36N2OS/c1-4-15-37(16-5-1)38-27-29-42(30-28-38)55(40-17-6-2-7-18-40)44-33-39(46-23-14-25-51-54(46)48-22-10-12-24-50(48)57-51)34-45(35-44)56(41-19-8-3-9-20-41)43-31-32-53-49(36-43)47-21-11-13-26-52(47)58-53/h1-36H
InChIKeyFPISBJHKTITMIC-UHFFFAOYSA-N
XLogP16.23
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.96
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 170383559
1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605120
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551
N-(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835622
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline
CID 164835604
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 121383373

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine (CID 122551974) is 5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cccc5oc6ccccc6c45)cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is FPISBJHKTITMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2OS/c1-4-15-37(16-5-1)38-27-29-42(30-28-38)55(40-17-6-2-7-18-40)44-33-39(46-23-14-25-51-54(46)48-22-10-12-24-50(48)57-51)34-45(35-44)56(41-19-8-3-9-20-41)43-31-32-53-49(36-43)47-21-11-13-26-52(47)58-53/h1-36H.
What are the key properties of 5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 760.96 g/mol, XLogP of 16.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 122551974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).