4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline

C42H27NS2 — CID 90351007

IUPAC4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C42H27NS2/c1-2-9-31(10-3-1)43(32-22-17-28(18-23-32)30-21-26-41-38(27-30)36-12-5-6-15-39(36)44-41)33-24-19-29(20-25-33)34-13-8-14-37-35-11-4-7-16-40(35)45-42(34)37/h1-27H
InChIKeyOZCKDTZEIWVVRL-UHFFFAOYSA-N
MW609.82 g/mol
LogP13.23
Rot. Bonds5

About 4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline

4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline (PubChem CID 90351007) has the molecular formula C42H27NS2 and a molecular weight of 609.82 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
PubChem CID90351007
Molecular FormulaC42H27NS2
Molecular Weight609.82 g/mol
Exact Mass609.16
IUPAC Name4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C42H27NS2/c1-2-9-31(10-3-1)43(32-22-17-28(18-23-32)30-21-26-41-38(27-30)36-12-5-6-15-39(36)44-41)33-24-19-29(20-25-33)34-13-8-14-37-35-11-4-7-16-40(35)45-42(34)37/h1-27H
InChIKeyOZCKDTZEIWVVRL-UHFFFAOYSA-N
XLogP13.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.82
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-[4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]phenyl]-N,N-diphenylaniline
CID 90076337
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
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-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
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
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline?
The IUPAC name of 4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline (CID 90351007) is 4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline?
The canonical SMILES for 4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline?
The InChIKey is OZCKDTZEIWVVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS2/c1-2-9-31(10-3-1)43(32-22-17-28(18-23-32)30-21-26-41-38(27-30)36-12-5-6-15-39(36)44-41)33-24-19-29(20-25-33)34-13-8-14-37-35-11-4-7-16-40(35)45-42(34)37/h1-27H.
What are the key properties of 4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline?
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline has a molecular weight of 609.82 g/mol, XLogP of 13.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 90351007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).