4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline

C64H41NS2 — CID 70808692

IUPAC4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc(-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C64H41NS2/c1-2-12-42(13-3-1)49-39-50(41-51(40-49)48-25-24-43-14-4-5-15-47(43)38-48)44-26-32-52(33-27-44)65(53-34-28-45(29-35-53)55-18-10-20-59-57-16-6-8-22-61(57)66-63(55)59)54-36-30-46(31-37-54)56-19-11-21-60-58-17-7-9-23-62(58)67-64(56)60/h1-41H
InChIKeyRWELIBFMUVDLFF-UHFFFAOYSA-N
MW888.17 g/mol
LogP19.38
Rot. Bonds8

About 4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline

4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline (PubChem CID 70808692) has the molecular formula C64H41NS2 and a molecular weight of 888.17 g/mol. Its IUPAC name is 4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
PubChem CID70808692
Molecular FormulaC64H41NS2
Molecular Weight888.17 g/mol
Exact Mass887.27
IUPAC Name4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc(-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C64H41NS2/c1-2-12-42(13-3-1)49-39-50(41-51(40-49)48-25-24-43-14-4-5-15-47(43)38-48)44-26-32-52(33-27-44)65(53-34-28-45(29-35-53)55-18-10-20-59-57-16-6-8-22-61(57)66-63(55)59)54-36-30-46(31-37-54)56-19-11-21-60-58-17-7-9-23-62(58)67-64(56)60/h1-41H
InChIKeyRWELIBFMUVDLFF-UHFFFAOYSA-N
XLogP19.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.17
LogP ≤ 519.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 122646680
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 154960998
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 137392432
5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604879
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434428
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline
CID 169063836
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325271
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 137392484

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline?
The IUPAC name of 4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline (CID 70808692) is 4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline is c1ccc(-c2cc(-c3ccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc(-c3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of 4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline?
The InChIKey is RWELIBFMUVDLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NS2/c1-2-12-42(13-3-1)49-39-50(41-51(40-49)48-25-24-43-14-4-5-15-47(43)38-48)44-26-32-52(33-27-44)65(53-34-28-45(29-35-53)55-18-10-20-59-57-16-6-8-22-61(57)66-63(55)59)54-36-30-46(31-37-54)56-19-11-21-60-58-17-7-9-23-62(58)67-64(56)60/h1-41H.
What are the key properties of 4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline?
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline has a molecular weight of 888.17 g/mol, XLogP of 19.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 70808692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).