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

C47H30N2S2 — CID 90076240

IUPAC4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4sc5ccc(-c6ccc7c(c6)sc6ccccc67)cc5c4c3)cc2)c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C47H30N2S2/c1-2-8-36(9-3-1)49(38-22-15-32(16-23-38)43-11-6-7-27-48-43)37-20-13-31(14-21-37)33-18-25-45-41(28-33)42-29-34(19-26-46(42)50-45)35-17-24-40-39-10-4-5-12-44(39)51-47(40)30-35/h1-30H
InChIKeyFVPOTNIVRHFELA-UHFFFAOYSA-N
MW686.91 g/mol
LogP14.29
Rot. Bonds6

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

4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline (PubChem CID 90076240) has the molecular formula C47H30N2S2 and a molecular weight of 686.91 g/mol. Its IUPAC name is 4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
PubChem CID90076240
Molecular FormulaC47H30N2S2
Molecular Weight686.91 g/mol
Exact Mass686.19
IUPAC Name4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4sc5ccc(-c6ccc7c(c6)sc6ccccc67)cc5c4c3)cc2)c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C47H30N2S2/c1-2-8-36(9-3-1)49(38-22-15-32(16-23-38)43-11-6-7-27-48-43)37-20-13-31(14-21-37)33-18-25-45-41(28-33)42-29-34(19-26-46(42)50-45)35-17-24-40-39-10-4-5-12-44(39)51-47(40)30-35/h1-30H
InChIKeyFVPOTNIVRHFELA-UHFFFAOYSA-N
XLogP14.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.91
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
CID 90076336
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
3-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N,N-diphenylaniline
CID 90076169
N-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 118186818
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-triphenylen-2-ylaniline
CID 118214585
2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]pyridine
CID 166576691
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

Frequently Asked Questions

What is the IUPAC name of 4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline?
The IUPAC name of 4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline (CID 90076240) is 4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline.
What is the SMILES notation for 4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline?
The canonical SMILES for 4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline is c1ccc(N(c2ccc(-c3ccc4sc5ccc(-c6ccc7c(c6)sc6ccccc67)cc5c4c3)cc2)c2ccc(-c3ccccn3)cc2)cc1.
What is the InChIKey of 4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline?
The InChIKey is FVPOTNIVRHFELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2S2/c1-2-8-36(9-3-1)49(38-22-15-32(16-23-38)43-11-6-7-27-48-43)37-20-13-31(14-21-37)33-18-25-45-41(28-33)42-29-34(19-26-46(42)50-45)35-17-24-40-39-10-4-5-12-44(39)51-47(40)30-35/h1-30H.
What are the key properties of 4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline?
4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline has a molecular weight of 686.91 g/mol, XLogP of 14.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline is sourced from PubChem (CID 90076240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).