N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline

C58H39NS — CID 164831984

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccccc4-c4ccccc4)cc3)cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C58H39NS/c1-3-15-41(16-4-1)49-38-33-45(39-55(49)52-25-13-20-42-19-7-8-21-48(42)52)40-29-34-46(35-30-40)59(56-27-11-9-22-50(56)43-17-5-2-6-18-43)47-36-31-44(32-37-47)51-24-14-26-54-53-23-10-12-28-57(53)60-58(51)54/h1-39H
InChIKeyLBGFUZWJDMYUIV-UHFFFAOYSA-N
MW782.02 g/mol
LogP17.01
Rot. Bonds8

About N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline

N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline (PubChem CID 164831984) has the molecular formula C58H39NS and a molecular weight of 782.02 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline
PubChem CID164831984
Molecular FormulaC58H39NS
Molecular Weight782.02 g/mol
Exact Mass781.28
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccccc4-c4ccccc4)cc3)cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C58H39NS/c1-3-15-41(16-4-1)49-38-33-45(39-55(49)52-25-13-20-42-19-7-8-21-48(42)52)40-29-34-46(35-30-40)59(56-27-11-9-22-50(56)43-17-5-2-6-18-43)47-36-31-44(32-37-47)51-24-14-26-54-53-23-10-12-28-57(53)60-58(51)54/h1-39H
InChIKeyLBGFUZWJDMYUIV-UHFFFAOYSA-N
XLogP17.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.02
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 164831950
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline
CID 164831553
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 168767151
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 164831578
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline
CID 168846205
N-(2-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235510
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-(4-phenylphenyl)aniline
CID 158744842
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501487
4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 161489746
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397345

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline (CID 164831984) is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccccc4-c4ccccc4)cc3)cc2-c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline?
The InChIKey is LBGFUZWJDMYUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NS/c1-3-15-41(16-4-1)49-38-33-45(39-55(49)52-25-13-20-42-19-7-8-21-48(42)52)40-29-34-46(35-30-40)59(56-27-11-9-22-50(56)43-17-5-2-6-18-43)47-36-31-44(32-37-47)51-24-14-26-54-53-23-10-12-28-57(53)60-58(51)54/h1-39H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline?
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline has a molecular weight of 782.02 g/mol, XLogP of 17.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline is sourced from PubChem (CID 164831984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).