4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

C54H37NS — CID 135277463

IUPAC4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc6sc7ccccc7c6cc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H37NS/c1-4-12-38(13-5-1)40-20-22-41(23-21-40)43-26-32-47(33-27-43)55(46-30-24-42(25-31-46)39-14-6-2-7-15-39)48-34-28-45(29-35-48)51-37-54-52(49-18-10-11-19-53(49)56-54)36-50(51)44-16-8-3-9-17-44/h1-37H
InChIKeyMBQSURDGZPFKII-UHFFFAOYSA-N
MW731.96 g/mol
LogP15.86
Rot. Bonds8

About 4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 135277463) has the molecular formula C54H37NS and a molecular weight of 731.96 g/mol. Its IUPAC name is 4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID135277463
Molecular FormulaC54H37NS
Molecular Weight731.96 g/mol
Exact Mass731.26
IUPAC Name4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc6sc7ccccc7c6cc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H37NS/c1-4-12-38(13-5-1)40-20-22-41(23-21-40)43-26-32-47(33-27-43)55(46-30-24-42(25-31-46)39-14-6-2-7-15-39)48-34-28-45(29-35-48)51-37-54-52(49-18-10-11-19-53(49)56-54)36-50(51)44-16-8-3-9-17-44/h1-37H
InChIKeyMBQSURDGZPFKII-UHFFFAOYSA-N
XLogP15.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.96
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 135277605
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 135277607
N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 135277469
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-[4-(2-dibenzofuran-3-yldibenzothiophen-3-yl)phenyl]-N,4-diphenylaniline
CID 138707755
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-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline
CID 121261338

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 135277463) is 4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc6sc7ccccc7c6cc5-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is MBQSURDGZPFKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NS/c1-4-12-38(13-5-1)40-20-22-41(23-21-40)43-26-32-47(33-27-43)55(46-30-24-42(25-31-46)39-14-6-2-7-15-39)48-34-28-45(29-35-48)51-37-54-52(49-18-10-11-19-53(49)56-54)36-50(51)44-16-8-3-9-17-44/h1-37H.
What are the key properties of 4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 731.96 g/mol, XLogP of 15.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 135277463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).