N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine

C159H113N3O2S — CID 158769346

IUPACN-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C55H39NO.C55H39NS.C49H35NO/c1-5-15-40(16-6-1)41-25-32-48(33-26-41)56(49-34-27-42(28-35-49)43-29-38-54-52(39-43)51-23-13-14-24-53(51)57-54)50-36-30-47(31-37-50)55(44-17-7-2-8-18-44,45-19-9-3-10-20-45)46-21-11-4-12-22-46;1-5-16-40(17-6-1)42-18-15-25-50(38-42)56(48-33-28-41(29-34-48)43-30-37-54-52(39-43)51-26-13-14-27-53(51)57-54)49-35-31-47(32-36-49)55(44-19-7-2-8-20-44,45-21-9-3-10-22-45)46-23-11-4-12-24-46;1-5-15-36(16-6-1)37-25-29-42(30-26-37)50(44-33-34-48-46(35-44)45-23-13-14-24-47(45)51-48)43-31-27-41(28-32-43)49(38-17-7-2-8-18-38,39-19-9-3-10-20-39)40-21-11-4-12-22-40/h2*1-39H;1-35H
InChIKeyIPRAPUSFWUBPEY-UHFFFAOYSA-N
MW2129.74 g/mol
LogP43.12
Rot. Bonds26

About N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine

N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine (PubChem CID 158769346) has the molecular formula C159H113N3O2S and a molecular weight of 2129.74 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine
PubChem CID158769346
Molecular FormulaC159H113N3O2S
Molecular Weight2129.74 g/mol
Exact Mass2127.86
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C55H39NO.C55H39NS.C49H35NO/c1-5-15-40(16-6-1)41-25-32-48(33-26-41)56(49-34-27-42(28-35-49)43-29-38-54-52(39-43)51-23-13-14-24-53(51)57-54)50-36-30-47(31-37-50)55(44-17-7-2-8-18-44,45-19-9-3-10-20-45)46-21-11-4-12-22-46;1-5-16-40(17-6-1)42-18-15-25-50(38-42)56(48-33-28-41(29-34-48)43-30-37-54-52(39-43)51-26-13-14-27-53(51)57-54)49-35-31-47(32-36-49)55(44-19-7-2-8-20-44,45-21-9-3-10-22-45)46-23-11-4-12-24-46;1-5-15-36(16-6-1)37-25-29-42(30-26-37)50(44-33-34-48-46(35-44)45-23-13-14-24-47(45)51-48)43-31-27-41(28-32-43)49(38-17-7-2-8-18-38,39-19-9-3-10-20-39)40-21-11-4-12-22-40/h2*1-39H;1-35H
InChIKeyIPRAPUSFWUBPEY-UHFFFAOYSA-N
XLogP43.12
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002129.74
LogP ≤ 543.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine with MolForge

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Related Compounds

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-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline
CID 148653101
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
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
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
5-[7-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588601
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
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
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428237
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428274
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine (CID 158769346) is N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine?
The InChIKey is IPRAPUSFWUBPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO.C55H39NS.C49H35NO/c1-5-15-40(16-6-1)41-25-32-48(33-26-41)56(49-34-27-42(28-35-49)43-29-38-54-52(39-43)51-23-13-14-24-53(51)57-54)50-36-30-47(31-37-50)55(44-17-7-2-8-18-44,45-19-9-3-10-20-45)46-21-11-4-12-22-46;1-5-16-40(17-6-1)42-18-15-25-50(38-42)56(48-33-28-41(29-34-48)43-30-37-54-52(39-43)51-26-13-14-27-53(51)57-54)49-35-31-47(32-36-49)55(44-19-7-2-8-20-44,45-21-9-3-10-22-45)46-23-11-4-12-24-46;1-5-15-36(16-6-1)37-25-29-42(30-26-37)50(44-33-34-48-46(35-44)45-23-13-14-24-47(45)51-48)43-31-27-41(28-32-43)49(38-17-7-2-8-18-38,39-19-9-3-10-20-39)40-21-11-4-12-22-40/h2*1-39H;1-35H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine?
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine has a molecular weight of 2129.74 g/mol, XLogP of 43.12, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 158769346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).