N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline

C60H41NS — CID 121261338

IUPACN-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)cc3)c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C60H41NS/c1-4-13-42(14-5-1)45-23-30-54(31-24-45)61(56-34-27-47(28-35-56)53-39-51(43-15-6-2-7-16-43)38-52(40-53)44-17-8-3-9-18-44)55-32-25-46(26-33-55)48-19-12-20-49(37-48)50-29-36-58-57-21-10-11-22-59(57)62-60(58)41-50/h1-41H
InChIKeyMJAGLXYSBDRRCU-UHFFFAOYSA-N
MW808.06 g/mol
LogP17.53
Rot. Bonds9

About N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline

N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline (PubChem CID 121261338) has the molecular formula C60H41NS and a molecular weight of 808.06 g/mol. Its IUPAC name is N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline
PubChem CID121261338
Molecular FormulaC60H41NS
Molecular Weight808.06 g/mol
Exact Mass807.30
IUPAC NameN-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)cc3)c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C60H41NS/c1-4-13-42(14-5-1)45-23-30-54(31-24-45)61(56-34-27-47(28-35-56)53-39-51(43-15-6-2-7-16-43)38-52(40-53)44-17-8-3-9-18-44)55-32-25-46(26-33-55)48-19-12-20-49(37-48)50-29-36-58-57-21-10-11-22-59(57)62-60(58)41-50/h1-41H
InChIKeyMJAGLXYSBDRRCU-UHFFFAOYSA-N
XLogP17.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.06
LogP ≤ 517.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 118186818
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 118186820
N-[4-(2-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159692895
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
N-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 118640861
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline?
The IUPAC name of N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline (CID 121261338) is N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)cc3)c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline?
The InChIKey is MJAGLXYSBDRRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NS/c1-4-13-42(14-5-1)45-23-30-54(31-24-45)61(56-34-27-47(28-35-56)53-39-51(43-15-6-2-7-16-43)38-52(40-53)44-17-8-3-9-18-44)55-32-25-46(26-33-55)48-19-12-20-49(37-48)50-29-36-58-57-21-10-11-22-59(57)62-60(58)41-50/h1-41H.
What are the key properties of N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline?
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline has a molecular weight of 808.06 g/mol, XLogP of 17.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 121261338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).