N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine

C54H35NS2 — CID 171435440

IUPACN-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4c(-c5ccccc5)ccc5c4sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C54H35NS2/c1-3-12-36(13-4-1)40-16-11-17-41(34-40)37-22-27-43(28-23-37)55(44-29-24-38(25-30-44)42-26-33-52-49(35-42)47-19-8-9-20-50(47)56-52)53-45(39-14-5-2-6-15-39)31-32-48-46-18-7-10-21-51(46)57-54(48)53/h1-35H
InChIKeyABOBVAHYTFPDBW-UHFFFAOYSA-N
MW762.02 g/mol
LogP16.56
Rot. Bonds7

About N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine

N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 171435440) has the molecular formula C54H35NS2 and a molecular weight of 762.02 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID171435440
Molecular FormulaC54H35NS2
Molecular Weight762.02 g/mol
Exact Mass761.22
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4c(-c5ccccc5)ccc5c4sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C54H35NS2/c1-3-12-36(13-4-1)40-16-11-17-41(34-40)37-22-27-43(28-23-37)55(44-29-24-38(25-30-44)42-26-33-52-49(35-42)47-19-8-9-20-50(47)56-52)53-45(39-14-5-2-6-15-39)31-32-48-46-18-7-10-21-51(46)57-54(48)53/h1-35H
InChIKeyABOBVAHYTFPDBW-UHFFFAOYSA-N
XLogP16.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.02
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435085
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzothiophen-4-amine
CID 171435299
N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine
CID 171434947
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
4-[4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]phenyl]-N,N-diphenylaniline
CID 90076337
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 90351007
N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435369
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406193
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605064
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 171435440) is N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4c(-c5ccccc5)ccc5c4sc4ccccc45)cc3)c2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is ABOBVAHYTFPDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS2/c1-3-12-36(13-4-1)40-16-11-17-41(34-40)37-22-27-43(28-23-37)55(44-29-24-38(25-30-44)42-26-33-52-49(35-42)47-19-8-9-20-50(47)56-52)53-45(39-14-5-2-6-15-39)31-32-48-46-18-7-10-21-51(46)57-54(48)53/h1-35H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 762.02 g/mol, XLogP of 16.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 171435440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).