N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline

C166H111N3O2S2 — CID 158694550

IUPACN-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6sc7c(-c8ccccc8)cccc7c56)c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)c4)cc3)cc2)cc1
InChIInChI=1S/C58H39NS.C54H35NOS.C54H37NO/c1-3-13-40(14-4-1)41-27-33-48(34-28-41)59(50-37-31-45(32-38-50)52-22-10-18-43-17-7-8-21-51(43)52)49-35-29-42(30-36-49)46-19-9-20-47(39-46)53-23-12-26-56-57(53)55-25-11-24-54(58(55)60-56)44-15-5-2-6-16-44;1-3-10-36(11-4-1)37-18-26-43(27-19-37)55(45-30-22-39(23-31-45)42-25-33-53-50(35-42)47-14-7-8-17-52(47)57-53)44-28-20-38(21-29-44)41-24-32-51-49(34-41)48-16-9-15-46(54(48)56-51)40-12-5-2-6-13-40;1-4-13-38(14-5-1)40-25-31-46(32-26-40)55(47-33-27-41(28-34-47)39-15-6-2-7-16-39)48-35-29-42(30-36-48)44-19-10-20-45(37-44)50-22-12-24-52-51-23-11-21-49(53(51)56-54(50)52)43-17-8-3-9-18-43/h1-39H;1-35H;1-37H
InChIKeyIGTUJYHPHNFSNJ-UHFFFAOYSA-N
MW2243.87 g/mol
LogP48.49
Rot. Bonds23

About N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline

N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 158694550) has the molecular formula C166H111N3O2S2 and a molecular weight of 2243.87 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID158694550
Molecular FormulaC166H111N3O2S2
Molecular Weight2243.87 g/mol
Exact Mass2241.81
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6sc7c(-c8ccccc8)cccc7c56)c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)c4)cc3)cc2)cc1
InChIInChI=1S/C58H39NS.C54H35NOS.C54H37NO/c1-3-13-40(14-4-1)41-27-33-48(34-28-41)59(50-37-31-45(32-38-50)52-22-10-18-43-17-7-8-21-51(43)52)49-35-29-42(30-36-49)46-19-9-20-47(39-46)53-23-12-26-56-57(53)55-25-11-24-54(58(55)60-56)44-15-5-2-6-16-44;1-3-10-36(11-4-1)37-18-26-43(27-19-37)55(45-30-22-39(23-31-45)42-25-33-53-50(35-42)47-14-7-8-17-52(47)57-53)44-28-20-38(21-29-44)41-24-32-51-49(34-41)48-16-9-15-46(54(48)56-51)40-12-5-2-6-13-40;1-4-13-38(14-5-1)40-25-31-46(32-26-40)55(47-33-27-41(28-34-47)39-15-6-2-7-16-39)48-35-29-42(30-36-48)44-19-10-20-45(37-44)50-22-12-24-52-51-23-11-21-49(53(51)56-54(50)52)43-17-8-3-9-18-43/h1-39H;1-35H;1-37H
InChIKeyIGTUJYHPHNFSNJ-UHFFFAOYSA-N
XLogP48.49
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002243.87
LogP ≤ 548.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168804879
4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;bis(4-phenyl-N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);4-phenyl-N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 161461949
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
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168804904
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-3-amine
CID 168804690
N,N-bis(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;8-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160881655
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
methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159961913
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 170015375
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804297

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline (CID 158694550) is N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6sc7c(-c8ccccc8)cccc7c56)c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)c4)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is IGTUJYHPHNFSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NS.C54H35NOS.C54H37NO/c1-3-13-40(14-4-1)41-27-33-48(34-28-41)59(50-37-31-45(32-38-50)52-22-10-18-43-17-7-8-21-51(43)52)49-35-29-42(30-36-49)46-19-9-20-47(39-46)53-23-12-26-56-57(53)55-25-11-24-54(58(55)60-56)44-15-5-2-6-16-44;1-3-10-36(11-4-1)37-18-26-43(27-19-37)55(45-30-22-39(23-31-45)42-25-33-53-50(35-42)47-14-7-8-17-52(47)57-53)44-28-20-38(21-29-44)41-24-32-51-49(34-41)48-16-9-15-46(54(48)56-51)40-12-5-2-6-13-40;1-4-13-38(14-5-1)40-25-31-46(32-26-40)55(47-33-27-41(28-34-47)39-15-6-2-7-16-39)48-35-29-42(30-36-48)44-19-10-20-45(37-44)50-22-12-24-52-51-23-11-21-49(53(51)56-54(50)52)43-17-8-3-9-18-43/h1-39H;1-35H;1-37H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 2243.87 g/mol, XLogP of 48.49, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 158694550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).