8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine

C56H36N2S2 — CID 153311677

IUPAC8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)c3sc4ccc(-c5cccc6c5sc5ccccc56)cc4c3c2)cc1
InChIInChI=1S/C56H36N2S2/c1-3-18-42(19-4-1)57(44-29-26-37-14-7-9-16-39(37)32-44)46-35-51-50-34-41(47-23-13-24-49-48-22-11-12-25-53(48)59-55(47)49)28-31-54(50)60-56(51)52(36-46)58(43-20-5-2-6-21-43)45-30-27-38-15-8-10-17-40(38)33-45/h1-36H
InChIKeyYCWFMISCYYXKBK-UHFFFAOYSA-N
MW801.05 g/mol
LogP17.34
Rot. Bonds7

About 8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine

8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine (PubChem CID 153311677) has the molecular formula C56H36N2S2 and a molecular weight of 801.05 g/mol. Its IUPAC name is 8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine.

Molecular Properties

Compound Name8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine
PubChem CID153311677
Molecular FormulaC56H36N2S2
Molecular Weight801.05 g/mol
Exact Mass800.23
IUPAC Name8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)c3sc4ccc(-c5cccc6c5sc5ccccc56)cc4c3c2)cc1
InChIInChI=1S/C56H36N2S2/c1-3-18-42(19-4-1)57(44-29-26-37-14-7-9-16-39(37)32-44)46-35-51-50-34-41(47-23-13-24-49-48-22-11-12-25-53(48)59-55(47)49)28-31-54(50)60-56(51)52(36-46)58(43-20-5-2-6-21-43)45-30-27-38-15-8-10-17-40(38)33-45/h1-36H
InChIKeyYCWFMISCYYXKBK-UHFFFAOYSA-N
XLogP17.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.05
LogP ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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,N-bis(3-dibenzothiophen-4-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;3-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;7-dibenzothiophen-4-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161495248
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
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767596
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396570
4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine
CID 157181431
2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
CID 161312906
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 158103860
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 167397512
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
8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
CID 166856583
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 90351007

Frequently Asked Questions

What is the IUPAC name of 8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine?
The IUPAC name of 8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine (CID 153311677) is 8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine.
What is the SMILES notation for 8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine?
The canonical SMILES for 8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine is c1ccc(N(c2ccc3ccccc3c2)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)c3sc4ccc(-c5cccc6c5sc5ccccc56)cc4c3c2)cc1.
What is the InChIKey of 8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine?
The InChIKey is YCWFMISCYYXKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2S2/c1-3-18-42(19-4-1)57(44-29-26-37-14-7-9-16-39(37)32-44)46-35-51-50-34-41(47-23-13-24-49-48-22-11-12-25-53(48)59-55(47)49)28-31-54(50)60-56(51)52(36-46)58(43-20-5-2-6-21-43)45-30-27-38-15-8-10-17-40(38)33-45/h1-36H.
What are the key properties of 8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine?
8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine has a molecular weight of 801.05 g/mol, XLogP of 17.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine is sourced from PubChem (CID 153311677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).