4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline

C53H34N2S2 — CID 90076336

IUPAC4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4sc5ccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)cc5c4c3)cc2)c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C53H34N2S2/c1-2-12-41(13-3-1)55(43-27-21-36(22-28-43)49-17-6-7-31-54-49)42-25-19-35(20-26-42)38-23-29-51-47(33-38)48-34-39(24-30-52(48)56-51)37-10-8-11-40(32-37)44-15-9-16-46-45-14-4-5-18-50(45)57-53(44)46/h1-34H
InChIKeyVOYZCPINNNIQBC-UHFFFAOYSA-N
MW763.00 g/mol
LogP15.96
Rot. Bonds7

About 4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline

4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline (PubChem CID 90076336) has the molecular formula C53H34N2S2 and a molecular weight of 763.00 g/mol. Its IUPAC name is 4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
PubChem CID90076336
Molecular FormulaC53H34N2S2
Molecular Weight763.00 g/mol
Exact Mass762.22
IUPAC Name4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4sc5ccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)cc5c4c3)cc2)c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C53H34N2S2/c1-2-12-41(13-3-1)55(43-27-21-36(22-28-43)49-17-6-7-31-54-49)42-25-19-35(20-26-42)38-23-29-51-47(33-38)48-34-39(24-30-52(48)56-51)37-10-8-11-40(32-37)44-15-9-16-46-45-14-4-5-18-50(45)57-53(44)46/h1-34H
InChIKeyVOYZCPINNNIQBC-UHFFFAOYSA-N
XLogP15.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.00
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]phenyl]-N,N-diphenylaniline
CID 90076337
4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
CID 90076240
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 90351007
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
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
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406193
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 121261297
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261959
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902

Frequently Asked Questions

What is the IUPAC name of 4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline?
The IUPAC name of 4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline (CID 90076336) is 4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline.
What is the SMILES notation for 4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline?
The canonical SMILES for 4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline is c1ccc(N(c2ccc(-c3ccc4sc5ccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)cc5c4c3)cc2)c2ccc(-c3ccccn3)cc2)cc1.
What is the InChIKey of 4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline?
The InChIKey is VOYZCPINNNIQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2S2/c1-2-12-41(13-3-1)55(43-27-21-36(22-28-43)49-17-6-7-31-54-49)42-25-19-35(20-26-42)38-23-29-51-47(33-38)48-34-39(24-30-52(48)56-51)37-10-8-11-40(32-37)44-15-9-16-46-45-14-4-5-18-50(45)57-53(44)46/h1-34H.
What are the key properties of 4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline?
4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline has a molecular weight of 763.00 g/mol, XLogP of 15.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline is sourced from PubChem (CID 90076336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).