5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

C56H43N3S — CID 118604840

IUPAC5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESCc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc(N(c3ccccc3)c3cccc(C)c3)c2)c1
InChIInChI=1S/C56H43N3S/c1-40-17-14-25-47(35-40)58(44-21-8-4-9-22-44)50-37-49(38-51(39-50)59(45-23-10-5-11-24-45)48-26-15-18-41(2)36-48)57(43-19-6-3-7-20-43)46-33-31-42(32-34-46)52-28-16-29-54-53-27-12-13-30-55(53)60-56(52)54/h3-39H,1-2H3
InChIKeyIDRMREMZUMHSFE-UHFFFAOYSA-N
MW790.05 g/mol
LogP16.75
Rot. Bonds10

About 5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (PubChem CID 118604840) has the molecular formula C56H43N3S and a molecular weight of 790.05 g/mol. Its IUPAC name is 5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
PubChem CID118604840
Molecular FormulaC56H43N3S
Molecular Weight790.05 g/mol
Exact Mass789.32
IUPAC Name5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESCc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc(N(c3ccccc3)c3cccc(C)c3)c2)c1
InChIInChI=1S/C56H43N3S/c1-40-17-14-25-47(35-40)58(44-21-8-4-9-22-44)50-37-49(38-51(39-50)59(45-23-10-5-11-24-45)48-26-15-18-41(2)36-48)57(43-19-6-3-7-20-43)46-33-31-42(32-34-46)52-28-16-29-54-53-27-12-13-30-55(53)60-56(52)54/h3-39H,1-2H3
InChIKeyIDRMREMZUMHSFE-UHFFFAOYSA-N
XLogP16.75
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.05
LogP ≤ 516.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(4-dibenzothiophen-2-ylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-3-N,3-N-bis(3-methylphenyl)-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605046
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605050
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022100
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline;4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 158485457
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
5-bromo-3-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134471589
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060
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-(4-dibenzothiophen-4-ylphenyl)-N-(3-methylphenyl)pyren-1-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)pyren-1-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-phenylpyren-1-amine
CID 159949961
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The IUPAC name of 5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (CID 118604840) is 5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.
What is the SMILES notation for 5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The canonical SMILES for 5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is Cc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc(N(c3ccccc3)c3cccc(C)c3)c2)c1.
What is the InChIKey of 5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The InChIKey is IDRMREMZUMHSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N3S/c1-40-17-14-25-47(35-40)58(44-21-8-4-9-22-44)50-37-49(38-51(39-50)59(45-23-10-5-11-24-45)48-26-15-18-41(2)36-48)57(43-19-6-3-7-20-43)46-33-31-42(32-34-46)52-28-16-29-54-53-27-12-13-30-55(53)60-56(52)54/h3-39H,1-2H3.
What are the key properties of 5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine has a molecular weight of 790.05 g/mol, XLogP of 16.75, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 118604840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).